rac α-Amino-3,4-dimethoxy-α-methylbenzenepropanenitrile Hydrochloride - CAS 2544-12-9
Catalog: |
BB074892 |
Product Name: |
rac α-Amino-3,4-dimethoxy-α-methylbenzenepropanenitrile Hydrochloride |
CAS: |
2544-12-9 |
Synonyms: |
(±)-α-Amino-3,4-dimethoxy-α-methylbenzenepropanenitrile Hydrochloride; DL-α-Amino-3,4-dimethoxy-α-methylhydrocinnamonitrile Monohydrochloride; DL-2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropionitrile Hydrochloride |
IUPAC Name: | 2-amino-3-(3,4-dimethoxyphenyl)-2-methylpropanenitrilehydrochloride |
Molecular Weight: | 256.73 |
Molecular Formula: | C12H17ClN2O2 |
Canonical SMILES: | CC(CC1=CC(=C(C=C1)OC)OC)(C#N)N.Cl |
InChI: | InChI=1S/C12H16N2O2.ClH/c1-12(14,8-13)7-9-4-5-10(15-2)11(6-9)16-3/h4-6H,7,14H2,1-3H31H |
InChI Key: | CAKVDZOOCWGIPX-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 273 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 256.0978555 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 256.0978555 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 68.3Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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