AG01DU5B

2061996-77-6 | (S)-Methyl 5-Amino-5,6,7,8-Tetrahydronaphthalene-2-Carboxylate Hydrochloride

AG01DU5B

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CAS Number	2061996-77-6
Catalog Number	AG01DU5B
Chemical Name	(S)-Methyl 5-Amino-5,6,7,8-Tetrahydronaphthalene-2-Carboxylate Hydrochloride
IUPAC Name	methyl (5S)-5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate;hydrochloride
InChI	InChI=1S/C12H15NO2.ClH/c1-15-12(14)9-5-6-10-8(7-9)3-2-4-11(10)13;/h5-7,11H,2-4,13H2,1H3;1H/t11-;/m0./s1
InChI Key	CPQFWZZGZGQXLF-MERQFXBCSA-N
MDL Number	MFCD30609573
Molecular Formula	C12H16ClNO2
Molecular Weight	241.7139
SMILES	O=C(C1=CC=C2[C@@H](N)CCCC2=C1)OC.[H]Cl
Synonyms	(S)-Methyl 5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate hydrochloride, 2061996-77-6, MFCD30609573, AKOS030632980, KS-00000U44, DS-19811, Methyl (5S)-5-amino-5,6,7,8-tetrahydronaphthalene-2-carboxylate HCl salt, A123456,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	241.087g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	241.715g/mol
Monoisotopic Mass	241.087g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	52.3A^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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