AG000WFB

1269437-72-0 | Benzenemethanamine, α,2,6-trimethyl-, hydrochloride (1:1), (αS)-

AG000WFB

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CAS Number	1269437-72-0
Catalog Number	AG000WFB(AGN-PC-0WAMQG)
Chemical Name	Benzenemethanamine, α,2,6-trimethyl-, hydrochloride (1:1), (αS)-
IUPAC Name	(1S)-1-(2,6-dimethylphenyl)ethanamine;hydrochloride
InChI	InChI=1S/C10H15N.ClH/c1-7-5-4-6-8(2)10(7)9(3)11;/h4-6,9H,11H2,1-3H3;1H/t9-;/m0./s1
InChI Key	JQVDNTMMKLGBLJ-FVGYRXGTSA-N
MDL Number	MFCD12757572
Molecular Formula	C10H16ClN
Molecular Weight	185.6937
SMILES	C[C@H](N)C1=C(C)C=CC=C1C.[H]Cl
Synonyms	(S)-1-(2,6-Dimethylphenyl)ethanamine hydrochloride, 1213479-78-7, 1269437-72-0, (1S)-1-(2,6-DIMETHYLPHENYL)ETHYLAMINE-HCl, (1S)-1-(2,6-DIMETHYLPHENYL)ETHYLAMINE hydrochloride, AK-42483, CTK8E1355, KS-00000OHH, DTXSID10704148, 3805AA, MFCD12757572, AKOS015844603, AKOS016009405, DS-14068, AB0000305, AX8209812, ST2402709, B-1981, (1S)-1-(2,6-dimethylphenyl)ethan-1-amine hydrochloride, (1S)-1-(2,6-DIMETHYLPHENYL)ETHYLAMINE HYDROCHLRIDE, (1S)-1-(2,6-Dimethylphenyl)ethan-1-amine--hydrogen chloride (1/1), Benzenemethanamine, alpha,2,6-trimethyl-, hydrochloride (1:1), (alphaS)-, C10H16ClN, ACN-055243,

Complexity	112
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	2
Defined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Exact Mass	185.097g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	185.695g/mol
Monoisotopic Mass	185.097g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	26A^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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