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1374669-67-6 | Benzenepropanol, γ,4-diamino-, hydrochloride (1:2), (γS)-
CAS No: 1374669-67-6 Catalog No: AG0013BA MDL No:MFCD22377999
Product Description
Catalog Number:
AG0013BA
Chemical Name:
Benzenepropanol, γ,4-diamino-, hydrochloride (1:2), (γS)-
CAS Number:
1374669-67-6
Molecular Formula:
C9H16Cl2N2O
Molecular Weight:
239.1421
MDL Number:
MFCD22377999
IUPAC Name:
(3S)-3-amino-3-(4-aminophenyl)propan-1-ol;dihydrochloride
InChI:
InChI=1S/C9H14N2O.2ClH/c10-8-3-1-7(2-4-8)9(11)5-6-12;;/h1-4,9,12H,5-6,10-11H2;2*1H/t9-;;/m0../s1
InChI Key:
CEIVJARVHKLYPG-WWPIYYJJSA-N
SMILES:
OCC[C@@H](c1ccc(cc1)N)N.Cl.Cl
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
238.064g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
239.14g/mol
Monoisotopic Mass:
238.064g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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