2-Amino-3-phenylpropanenitrile, hydrochloride - CAS 93554-83-7
Catalog: |
BB061411 |
Product Name: |
2-Amino-3-phenylpropanenitrile, hydrochloride |
CAS: |
93554-83-7 |
Synonyms: |
2-amino-3-phenylpropanenitrile hydrochloride; 2-Amino-3-phenylpropanenitrile, HCl; 2-Amino-3-phenylpropanenitrile hydrochloride salt |
IUPAC Name: | 2-amino-3-phenylpropanenitrilehydrochloride |
Molecular Weight: | 146.19 +(36.46) |
Molecular Formula: | C9H10N2·HCl |
Canonical SMILES: | C1=CC=C(C=C1)CC(C#N)N.Cl |
InChI: | InChI=1S/C9H10N2.ClH/c10-7-9(11)6-8-4-2-1-3-5-8/h1-5,9H,6,11H21H |
InChI Key: | ZMLFFOLHKSAFBV-UHFFFAOYSA-N |
Complexity: | 150 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0610761 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0610761 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.8Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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