3-(Benzylamino)propionitrile - CAS 706-03-6
Catalog: |
BB034191 |
Product Name: |
3-(Benzylamino)propionitrile |
CAS: |
706-03-6 |
Synonyms: |
3-(benzylamino)propanenitrile |
IUPAC Name: | 3-(benzylamino)propanenitrile |
Description: | 3-(Benzylamino)propionitrile (CAS# 706-03-6) is used in the michael addition of primary and secondary amines to acrylonitrile catalyzed by lipases. |
Molecular Weight: | 160.22 |
Molecular Formula: | C10H12N2 |
Canonical SMILES: | C1=CC=C(C=C1)CNCCC#N |
InChI: | InChI=1S/C10H12N2/c11-7-4-8-12-9-10-5-2-1-3-6-10/h1-3,5-6,12H,4,8-9H2 |
InChI Key: | MWTGBAURSCEGSL-UHFFFAOYSA-N |
Boiling Point: | 301.4 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.024 g/mL at 25 °C (lit.) |
MDL: | MFCD00001955 |
LogP: | 2.08078 |
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 |
CN-109928971-A | The amino tetrahydro pyran class compound and application thereof that aryl replaces | 20190314 |
CN-108164503-A | A kind of heteroaromatic and the disubstituted benzenesulfonamides of alkyl side chain and its application in anti-influenza A virus medicament is prepared | 20180226 |
CN-108164503-B | A kind of heteroaromatic and the disubstituted benzenesulfonamides of alkyl side chain and its preparing the application in anti-influenza A virus medicament | 20180226 |
WO-2017156177-A1 | 3-phosphoglycerate dehydrogenase inhibitors and uses thereof | 20160309 |
AU-2014272718-A1 | CXCR7 receptor modulators | 20130530 |
Complexity: | 151 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.100048391 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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