Cas no 95539-61-0 (2-[(morpholin-4-yl)methyl]aniline)

2-[(morpholin-4-yl)methyl]aniline structure
95539-61-0 structure
Product Name:2-[(morpholin-4-yl)methyl]aniline
CAS No:95539-61-0
MF:C11H16N2O
MW:192.257542610168
MDL:MFCD04114505
CID:802826
PubChem ID:6484555
Update Time:2024-10-25

2-[(morpholin-4-yl)methyl]aniline Chemical and Physical Properties

Names and Identifiers

    • 2-(Morpholinomethyl)aniline
    • 2-(morpholin-4-ylmethyl)aniline
    • 2-Morpholin-4-ylmethyl-phenylamine
    • Benzenamine,2-(4-morpholinylmethyl)-
    • (4-morpholinylmethyl)aniline
    • 1-amino-2-(N-morpholinomethyl)benzene
    • 2-(4-morpholinylmethyl)aniline
    • 2-Morpholinomethyl-anilin
    • 2-morpholinomethyl-aniline
    • 4-(2-aminobenzyl)morpholine
    • 4-(o-aminobenzyl)morpholine
    • 2-(4-Morpholinylmethyl)benzenamine (ACI)
    • Morpholine, 4-(o-aminobenzyl)- (6CI)
    • 2-Morpholin-4-ylmethyl-aniline
    • 2-[(morpholin-4-yl)methyl]aniline
    • SCHEMBL2338990
    • EN300-50094
    • AKOS000104214
    • AB18467
    • MFCD04114505
    • C78628
    • PS-5522
    • BNBJMXCRCHPDIG-UHFFFAOYSA-N
    • 2-(morpholin-4-ylmethyl)aniline, AldrichCPR
    • SY028807
    • STK744308
    • DTXSID20424461
    • CS-0250207
    • Z285162770
    • 95539-61-0
    • DB-057589
    • MDL: MFCD04114505
    • Inchi: 1S/C11H16N2O/c12-11-4-2-1-3-10(11)9-13-5-7-14-8-6-13/h1-4H,5-9,12H2
    • InChI Key: BNBJMXCRCHPDIG-UHFFFAOYSA-N
    • SMILES: O1CCN(CC2C(N)=CC=CC=2)CC1

Computed Properties

  • Exact Mass: 192.12600
  • Monoisotopic Mass: 192.126263138g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 169
  • 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: 0.7
  • Topological Polar Surface Area: 38.5?2

Experimental Properties

  • Melting Point: 70 °C
  • PSA: 38.49000
  • LogP: 1.62010

2-[(morpholin-4-yl)methyl]aniline Security Information

  • Hazard Statement: Corrosive
  • Hazard Category Code: 36
  • Safety Instruction: 26
  • Hazardous Material Identification: C Xi
  • HazardClass:IRRITANT

2-[(morpholin-4-yl)methyl]aniline Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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2-[(morpholin-4-yl)methyl]aniline Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Ammonium formate Catalysts: Palladium Solvents: Ethanol ;  1 h, rt
Reference
New phenylaniline derivatives as modulators of amyloid protein precursor metabolism
Gay, Marion; Carato, Pascal ; Coevoet, Mathilde; Renault, Nicolas; Larchanche, Paul-Emmanuel; et al, Bioorganic & Medicinal Chemistry, 2018, 26(8), 2151-2164

Production Method 2

Reaction Conditions
1.1 Reagents: Tin ,  Hydrochloric acid Solvents: Water
Reference
Nitrobenzyl derivatives as bioreductive alkylating agents: evidence for the reductive formation of a reactive intermediate
Kirkpatrick, D. L.; Johnson, K. E.; Sartorelli, A. C., Journal of Medicinal Chemistry, 1986, 29(10), 2048-52

Production Method 3

Reaction Conditions
1.1 Solvents: Tetrahydrofuran ;  overnight, rt → reflux
1.2 Reagents: Hydrogen Catalysts: Palladium Solvents: Methanol ;  overnight, rt
Reference
Preparation of 3,4-diaminocyclobutene-1,2-diones as CXC chemokine receptor antagonists
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Production Method 4

Reaction Conditions
1.1 Reagents: Potassium carbonate Solvents: Ethanol ;  4 h, 100 °C
1.2 Reagents: Hydrazine hydrate (1:1) Catalysts: Nickel Solvents: Water ;  20 min, 40 °C
Reference
Activity of 2,6,9-trisubstituted purines as potent PDGFRα kinase inhibitors with antileukaemic activity
Reznickova, Eva; Gucky, Tomas; Kovacova, Veronika; Ajani, Haresh; Jorda, Radek ; et al, European Journal of Medicinal Chemistry, 2019, 182,

Production Method 5

Reaction Conditions
Reference
Preparation of 3-(ureido)-1,4-benzodiazepin-2-one cholecystokinin and gastrin receptor antagonists
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Production Method 6

Reaction Conditions
Reference
Preparation of [(heterocyclyl)(alkyl)]phenyl amidines and guanidines as hypoglycemics.
, China, , ,

Production Method 7

Reaction Conditions
Reference
Cleavage of phthalimides to amines
, United States, , ,

2-[(morpholin-4-yl)methyl]aniline Raw materials

2-[(morpholin-4-yl)methyl]aniline Preparation Products

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