Cas no 52235-55-9 (Carbamic acid,N-[[3-(aminomethyl)phenyl]methyl]-)

Carbamic acid,N-[[3-(aminomethyl)phenyl]methyl]- structure
52235-55-9 structure
Product Name:Carbamic acid,N-[[3-(aminomethyl)phenyl]methyl]-
CAS No:52235-55-9
MF:C9H12N2O2
MW:180.203782081604
CID:376130
PubChem ID:104129
Update Time:2025-04-19

Carbamic acid,N-[[3-(aminomethyl)phenyl]methyl]- Chemical and Physical Properties

Names and Identifiers

    • Carbamic acid,N-[[3-(aminomethyl)phenyl]methyl]-
    • [[3-(aminomethyl)phenyl]methyl]carbamic acid
    • [3-(aminomethyl)phenyl]methylcarbamic acid
    • ((3-(Aminomethyl)phenyl)methyl)carbamic acid
    • [3-(aminomethyl)benzyl]carbamic acid
    • EINECS 257-767-1
    • m-Xylylenediamine carbamate
    • JY6MTU82RX
    • Carbamic acid, [[3-(aminomethyl)phenyl]methyl]-
    • SCHEMBL1500540
    • DTXSID6068721
    • FT-0728828
    • N-[[3-(Aminomethyl)phenyl]methyl]carbamic acid
    • Carbamic acid, N-[[3-(aminomethyl)phenyl]methyl]-
    • Carbamic acid, ((3-(aminomethyl)phenyl)methyl)-
    • Carbamic acid, N-((3-(aminomethyl)phenyl)methyl)-
    • NS00022289
    • 52235-55-9
    • Inchi: 1S/C9H12N2O2/c10-5-7-2-1-3-8(4-7)6-11-9(12)13/h1-4,11H,5-6,10H2,(H,12,13)
    • InChI Key: HYKFCGUBCWWEBA-UHFFFAOYSA-N
    • SMILES: OC(NCC1C=CC=C(CN)C=1)=O

Computed Properties

  • Exact Mass: 180.09000
  • Monoisotopic Mass: 180.09
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 173
  • 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: -2.3
  • Topological Polar Surface Area: 75.4?2

Experimental Properties

  • Density: 1.236
  • Boiling Point: °Cat760mmHg
  • Flash Point: °C
  • Refractive Index: 1.593
  • PSA: 75.35000
  • LogP: 2.00410
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