2-Aminopropanenitrile Hydrochloride - CAS 72187-91-8
Catalog: |
BB034566 |
Product Name: |
2-Aminopropanenitrile Hydrochloride |
CAS: |
72187-91-8 |
Synonyms: |
2-aminopropanenitrile;hydrochloride; 2-aminopropanenitrile;hydrochloride |
IUPAC Name: | 2-aminopropanenitrile;hydrochloride |
Description: | Chiral Alanine manufacturing from racemic Aminopropionitrile with Rhodococcus bacteria. Peptide alanylnitrile toxicity. |
Molecular Weight: | 106.55 |
Molecular Formula: | C3H7ClN2 |
Canonical SMILES: | CC(C#N)N.Cl |
InChI: | InChI=1S/C3H6N2.ClH/c1-3(5)2-4;/h3H,5H2,1H3;1H |
InChI Key: | WJGQCCPNVRCAQI-UHFFFAOYSA-N |
Boiling Point: | 150 ℃ at 760 mmHg |
Density: | 0.928 g/cm3 |
LogP: | 1.35948 |
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, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020119819-A1 | Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 20181214 |
TW-202039474-A | Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 20181214 |
CN-113227074-A | Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods | 20181214 |
EP-3877381-A1 | Benzamides of pyrazolyl-amino-pyrimidinyl derivatives, and compositions and methods thereof | 20181214 |
CN-107652207-A | A kind of synthetic method of the cyclopropylniitrile hydrochloride of 1 amino 1 | 20171010 |
Complexity: | 58.5 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 106.0297759 |
Formal Charge: | 0 |
Heavy Atom Count: | 6 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 106.0297759 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.8 Å2 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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