AG00BGMA

255060-76-5 | (S)-4-(1-AMINOETHYL)BENZENAMINE-2HCl

AG00BGMA

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CAS Number	255060-76-5
Catalog Number	AG00BGMA(AGN-PC-0R197F)
Chemical Name	(S)-4-(1-AMINOETHYL)BENZENAMINE-2HCl
IUPAC Name	4-[(1S)-1-aminoethyl]aniline;dihydrochloride
InChI	InChI=1S/C8H12N2.2ClH/c1-6(9)7-2-4-8(10)5-3-7;;/h2-6H,9-10H2,1H3;2*1H/t6-;;/m0../s1
InChI Key	RBTZGSNSUNOPNF-ILKKLZGPSA-N
MDL Number	MFCD12755991
Molecular Formula	C8H14Cl2N2
Molecular Weight	209.1162
SMILES	NC1=CC=C([C@@H](N)C)C=C1.[H]Cl.[H]Cl
Synonyms	255060-76-5, (S)-4-(1-Aminoethyl)aniline dihydrochloride, (S)-4-(1-AMINOETHYL)BENZENAMINE-2HCl, 65645-33-2, (S)-4-(1-Aminoethyl)benzenamine dihydrochloride, 4-[(1S)-1-Aminoethyl]aniline dihydrochloride, S-(-)-a-Methyl-p-aminobenzylamine, CTK8E1433, MFCD12755991, AKOS015845419, AKOS015915985, (s)-4-(1-aminoethyl)benzenamine 2hcl, ACM255060765, AK133450, AB0000407, AX8255001, ST2401673, TC-065908, FT-0658426, W7688, S-1247, I14-5274, C8H14Cl2N2, ACN-030835, (S)-4-(1-Aminoethyl)anilinedihydrochloride, S)-4-(1-AMINOETHYL)BENZENAMINE-2HCl,

Complexity	95.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	208.053g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	209.114g/mol
Monoisotopic Mass	208.053g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	52A^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	P280-P305+P351+P338
UN Code

Certificate of Analysis

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