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(alphaS)-2,4-Dimethoxy-alpha-methylbenzylamine

(alphaS)-2,4-Dimethoxy-alpha-methylbenzylamine - CAS 1212264-50-0

Catalog:	BB005116
Product Name:	(alphaS)-2,4-Dimethoxy-alpha-methylbenzylamine
CAS:	1212264-50-0
Synonyms:	(1S)-1-(2,4-dimethoxyphenyl)ethanamine; (1S)-1-(2,4-dimethoxyphenyl)ethanamine

Technical Data

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Computed Properties

IUPAC Name:	(1S)-1-(2,4-dimethoxyphenyl)ethanamine
Description:	(alphaS)-2,4-Dimethoxy-alpha-methylbenzylamine (CAS# 1212264-50-0) is a useful research chemical.
Molecular Weight:	181.23
Molecular Formula:	C10H15NO2
Canonical SMILES:	CC(C1=C(C=C(C=C1)OC)OC)N
InChI:	InChI=1S/C10H15NO2/c1-7(11)9-5-4-8(12-2)6-10(9)13-3/h4-7H,11H2,1-3H3/t7-/m0/s1
InChI Key:	WZDFPSLDFRVYEU-ZETCQYMHSA-N
Storage:	Sealed in dry, 2-8 °C
LogP:	2.42380

Publication Number	Title	Priority Date
AU-2015349866-A1	4-oxo-3,4-dihydro-1,2,3-benzotriazines as modulators of GPR139	20141120
CA-2968242-A1	4-oxo-3,4-dihydro-1,2,3-benzotriazines as modulators of gpr139	20141120
EP-3221298-A1	4-oxo-3,4-dihydro-1,2,3-benzotriazines as modulators of gpr139	20141120
EP-3221298-B1	4-oxo-3,4-dihydro-1,2,3-benzotriazine derivatives as modulators of gpr139	20141120
EP-3536324-A1	4-oxo-3,4-dihydro-1,2,3-benzotriazines as modulators of gpr139	20141120

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	152
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	181.110278721
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	181.110278721
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7