AG01DDQ1

134430-96-9 | METHYL (3S)-3-AMINO-3-(4-HYDROXYPHENYL)PROPANOATE HYDROCHLORIDE

AG01DDQ1

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CAS Number	134430-96-9
Catalog Number	AG01DDQ1
Chemical Name	METHYL (3S)-3-AMINO-3-(4-HYDROXYPHENYL)PROPANOATE HYDROCHLORIDE
IUPAC Name	methyl (3S)-3-amino-3-(4-hydroxyphenyl)propanoate;hydrochloride
InChI	InChI=1S/C10H13NO3.ClH/c1-14-10(13)6-9(11)7-2-4-8(12)5-3-7;/h2-5,9,12H,6,11H2,1H3;1H/t9-;/m0./s1
InChI Key	IGCVYGRJXLFPDF-FVGYRXGTSA-N
MDL Number	MFCD24423163
Molecular Formula	C10H14ClNO3
Molecular Weight	231.6761
SMILES	O=C(OC)C[C@H](N)C1=CC=C(O)C=C1.[H]Cl
Synonyms	134430-96-9, (S)-Methyl 3-amino-3-(4-hydroxyphenyl)propanoate hydrochloride, MFCD24423163, METHYL (3S)-3-AMINO-3-(4-HYDROXYPHENYL)PROPANOATE HYDROCHLORIDE, (S)-Methyl 3-amino-3-(4-hydroxyphenyl)propanoate HCl,

Complexity	188
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	231.066g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
Isotope Atom Count	0
Molecular Weight	231.676g/mol
Monoisotopic Mass	231.066g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	72.6A^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-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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