AG00HD5Y

1159822-43-1 | 3-Amino-3-(2-aminophenyl)propan-1-ol dihydrochloride

AG00HD5Y

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CAS Number	1159822-43-1
Catalog Number	AG00HD5Y(AGN-PC-0WQZ4M)
Chemical Name	3-Amino-3-(2-aminophenyl)propan-1-ol dihydrochloride
IUPAC Name	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
InChI Key	CEIVJARVHKLYPG-UHFFFAOYSA-N
MDL Number	MFCD09878754
Molecular Formula	C9H16Cl2N2O
Molecular Weight	239.1421
SMILES	OCCC(N)C1=CC=CC=C1N.[H]Cl.[H]Cl
Synonyms	3-(4-aminophenyl)-dl-beta-alaninol 2hcl, 1159822-43-1, AK310897, AS-35911, 3-(4-aminophenyl)-dl-beta-alaninoldihydrochloride, 3-(4-Aminophenyl)-DL-beta-alaninol dihydrochloride, 3-amino-3-(4-aminophenyl)propan-1-ol;dihydrochloride, (3S)-3-amino-3-(4-aminophenyl)propan-1-ol;dihydrochloride, (S)-3-Amino-3-(4-aminophenyl)propan-1-ol dihydrochloride, 3-Amino-3-(2-aminophenyl)propan-1-ol dihydrochloride, 1374669-67-6, 3-AMINO-3-(4-AMINOPHENYL)PROPAN-1-OL DIHYDROCHLORIDE, 886364-12-1,

Complexity	122
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	238.063968g/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	238.063968g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	72.3Ų
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number