(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 |
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 |
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 |
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 |
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 |
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