AG0013BA

1374669-67-6 | (S)-3-Amino-3-(4-aminophenyl)propan-1-ol 2hcl

AG0013BA

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CAS Number	1374669-67-6
Catalog Number	AG0013BA(AGN-PC-0WAMQQ)
Chemical Name	(S)-3-Amino-3-(4-aminophenyl)propan-1-ol 2hcl
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
MDL Number	MFCD22377999
Molecular Formula	C9H16Cl2N2O
Molecular Weight	239.1421
SMILES	OCC[C@H](N)C1=CC=C(N)C=C1.[H]Cl.[H]Cl
Synonyms	1374669-67-6, (S)-3-Amino-3-(4-aminophenyl)propan-1-ol dihydrochloride, (S)-3-AMINO-3-(4-AMINOPHENYL)PROPAN-1-OL 2HCL, AK310897, KS-00000OIQ, MFCD22377999, DS-11672, Benzenepropanol, gamma,4-diamino-, hydrochloride (1:2), (gammaS)-,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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