Cas no 81881-74-5 (1H-indol-5-ylmethanamine)

1H-indol-5-ylmethanamine structure
1H-indol-5-ylmethanamine structure
Product Name:1H-indol-5-ylmethanamine
CAS No:81881-74-5
MF:C9H10N2
MW:146.189101696014
MDL:MFCD01719220
CID:726491
PubChem ID:54791
Update Time:2024-10-27

1H-indol-5-ylmethanamine Chemical and Physical Properties

Names and Identifiers

    • (1H-Indol-5-yl)methanamine
    • 5-(Aminomethyl)indole
    • C-(1H-Indol-5-YL)-Methylamine
    • 1-(1H-indol-5-yl)methanamine
    • 1H-indol-5-ylmethanamine
    • 1H-Indol-5-ylmethylamine oxalate
    • 1H-Indole-5-methanamine
    • indole-5-methylamine
    • 5-aminomethyl indole
    • 5-aminomethyl-1H-indole
    • indol-5-ylmethylamine
    • Indole-5-methanamine
    • INDOLE, 5-(AMINOMETHYL)-
    • 5-aminomethylindole
    • UAYYSAPJTRVEQA-UHFFFAOYSA-N
    • 1H-Indole-5-methaneamine
    • 1H-Indol-5-ylmethylamine
    • (1H-indol-5-yl)methylamine
    • c-(1h-indol-5-yl)methylamine
    • ((Indol-5-yl)methyl)amine
    • (1H-Indol-5-ylmethyl)amine
    • 1~{H}-indol-5-ylmethanamine
    • SY026890
    • STK501433
    • CS-W004014
    • CHEMBL5093963
    • AB09848
    • 81881-74-5
    • 1-(1H-indol-5-yl)-methylamine
    • AB01268359-03
    • ALBB-004777
    • AKOS000321414
    • NCGC00340272-01
    • EN300-866361
    • 5-(Aminomethyl)indole, 95%
    • DTXSID70231445
    • MFCD01719220
    • LUU
    • DS-13291
    • SCHEMBL879568
    • MDL： MFCD01719220
    • Inchi： 1S/C9H10N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11H,6,10H2
    • InChI Key： UAYYSAPJTRVEQA-UHFFFAOYSA-N
    • SMILES： NCC1C=C2C(NC=C2)=CC=1

Computed Properties

  • Exact Mass: 146.08400
  • Monoisotopic Mass: 146.084398327g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 1
  • Complexity: 136
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.2
  • Topological Polar Surface Area: 41.8

Experimental Properties

  • Melting Point: 114-122?°C
  • PSA: 41.81000
  • LogP: 2.32690

1H-indol-5-ylmethanamine Security Information

1H-indol-5-ylmethanamine Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

1H-indol-5-ylmethanamine Pricemore >>

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1H-indol-5-ylmethanamine Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen Catalysts: Stereoisomer of [N-[3-[bis(1,1-dimethylethyl)phosphino-κP]propyl]-1-methyl-1H-im… Solvents: Isopropanol ;  3 h, 30 bar, 50 °C
Reference
NNP-Type Pincer Imidazolylphosphine Ruthenium Complexes: Efficient Base-Free Hydrogenation of Aromatic and Aliphatic Nitriles under Mild Conditions
Adam, Rosa; et al, Chemistry - A European Journal, 2016, 22(14), 4991-5002

Production Method 2

Reaction Conditions
1.1 Reagents: Hydrogen ,  Ammonia Catalysts: Cobalt ,  Graphene Solvents: Methanol ;  4 h, 2 MPa, 90 °C
Reference
A general synthesis of amines via cobalt atoms individually anchored by divacancy sites on graphene-shelled layers
Zhuang, Xiuzheng; et al, Chem Catalysis, 2023, 3(8),

Production Method 3

Reaction Conditions
1.1 Reagents: Dicyclohexylcarbodiimide ,  1-Hydroxybenzotriazole Solvents: Dimethylformamide ;  10 min, 0 °C
1.2 Reagents: 4-Methylmorpholine ,  Ammonium chloride ;  24 h, rt
1.3 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C; 4 h, 35 °C
1.4 Solvents: Water ;  0 °C
1.5 Reagents: Hydrochloric acid Solvents: Water ;  pH 2
1.6 Reagents: Sodium hydroxide Solvents: Water ;  basified
Reference
Screening of NOS activity and selectivity of newly synthesized acetamidines using RP-HPLC
Fantacuzzi, Marialuigia; et al, Journal of Pharmaceutical and Biomedical Analysis, 2016, 120, 419-424

Production Method 4

Reaction Conditions
1.1 Reagents: Hydrazine hydrate (1:1) Catalysts: Alumina ,  Nickel Solvents: tert-Butanol ;  12 h, 5 bar, 100 °C
Reference
A general and selective Ni-catalysed reductive amination using hydrazine hydrate as facile hydrogen and nitrogen sources
Zhu, Jiazheng; et al, New Journal of Chemistry, 2023, 47(23), 11318-11324

Production Method 5

Reaction Conditions
1.1 Reagents: Ammonia Catalysts: Magnesium oxide ,  Ruthenium ,  Titania Solvents: Toluene ;  20 h, 0.7 MPa, 110 °C
Reference
Effects of ruthenium hydride species on primary amine synthesis by direct amination of alcohols over a heterogeneous Ru catalyst
Kita, Yusuke; et al, Chemical Science, 2020, 11(36), 9884-9890

Production Method 6

Reaction Conditions
1.1 Solvents: N-Methyl-2-pyrrolidone ;  3 h, rt; rt
1.2 Reagents: Water ;  cooled
2.1 Reagents: Lithium aluminum hydride Solvents: Tetrahydrofuran ;  0 °C; 3 h, reflux; reflux → 0 °C
2.2 Reagents: Sodium hydroxide Solvents: Water ;  30 min, rt
Reference
Nitrile Synthesis by Aerobic Oxidation of Primary Amines and in situ Generated Imines from Aldehydes and Ammonium Salt with Grubbs Catalyst
Utsumi, Tatsuki; et al, Advanced Synthesis & Catalysis, 2020, 362(17), 3583-3588

1H-indol-5-ylmethanamine Raw materials

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