Cas no 887922-93-2 (3-(Pyrrolidin-1-ylmethyl)benzoic Acid Hydrochloride)

3-(Pyrrolidin-1-ylmethyl)benzoic Acid Hydrochloride structure
887922-93-2 structure
Product Name:3-(Pyrrolidin-1-ylmethyl)benzoic Acid Hydrochloride
CAS No:887922-93-2
MF:C12H16ClNO2
MW:241.713942527771
MDL:MFCD08690301
CID:714056
PubChem ID:18525874
Update Time:2025-04-19

3-(Pyrrolidin-1-ylmethyl)benzoic Acid Hydrochloride Chemical and Physical Properties

Names and Identifiers

    • 3-(Pyrrolidin-1-ylmethyl)benzoic acid hydrochloride
    • 3-(1-Pyrrolidylmethyl)benzoic Acid Hydrochloride
    • Benzoic acid,3-(1-pyrrolidinylmethyl)-, hydrochloride (1:1)
    • 3-pyrrolidin-1-ylmethyl-benzoic acid hydrochloride
    • AC-7378
    • BORITTZEFSYNFT-UHFFFAOYSA-N
    • 5726AJ
    • SBB099502
    • TRA0028695
    • SY005947
    • AX8174325
    • AB1000633
    • 3-(pyrrolidinylmethyl)benzoic acid, chloride
    • 3-(Pyrrolidin-1-ylmethyl)benzoic acid, HCl
    • 3-(1-Pyrrolidylmethyl)benzoicAcidHydrochloride
    • 3-pyr
    • DS-16893
    • BCP34543
    • MFCD08690301
    • 3-(pyrrolidin-1-ylmethyl)benzoic acid hydrochloride, AldrichCPR
    • 3-[(Pyrrolidin-1-yl)methyl]benzoic acid--hydrogen chloride (1/1)
    • AMY9005
    • CS-0155278
    • 3-(pyrrolidin-1-ylmethyl)benzoic acid;hydrochloride
    • 3-[(pyrrolidin-1-yl)methyl]benzoic acid hydrochloride
    • SCHEMBL1371448
    • H11835
    • 887922-93-2
    • EN300-7356311
    • DTXSID50594626
    • 3-(PYRROLIDIN-1-YLMETHYL)BENZOICACIDHYDROCHLORIDE
    • 3-(PYRROLIDIN-1-YLMETHYL)BENZOIC ACID HCl
    • ZB1784
    • A861451
    • 1-Methyl-1H-benzimidazole-5-carboxylic acid ethyl ester
    • 3-pyrrolidin-1-ylmethyl-benzoic acid hydochloride
    • AKOS015904455
    • 3-(Pyrrolidin-1-ylmethyl)benzoic Acid Hydrochloride
    • MDL： MFCD08690301
    • Inchi： 1S/C12H15NO2.ClH/c14-12(15)11-5-3-4-10(8-11)9-13-6-1-2-7-13;/h3-5,8H,1-2,6-7,9H2,(H,14,15);1H
    • InChI Key： BORITTZEFSYNFT-UHFFFAOYSA-N
    • SMILES： Cl.OC(C1=CC=CC(=C1)CN1CCCC1)=O

Computed Properties

  • Exact Mass: 241.08700
  • Monoisotopic Mass: 241.087
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 3
  • Complexity: 224
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 40.5

Experimental Properties

  • Color/Form: No data avaiable
  • Density: 1.4±0.1 g/cm3
  • Melting Point: 168 °C
  • Boiling Point: 482.5±45.0 °C at 760 mmHg
  • Flash Point: 181.8℃
  • PSA: 40.54000
  • LogP: 2.72050
  • Vapor Pressure: 0.0±1.3 mmHg at 25°C

3-(Pyrrolidin-1-ylmethyl)benzoic Acid Hydrochloride Security Information

3-(Pyrrolidin-1-ylmethyl)benzoic Acid Hydrochloride 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%

3-(Pyrrolidin-1-ylmethyl)benzoic Acid Hydrochloride Pricemore >>

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