Cas no 4057-63-0 (tert.-butylaminoacetonitrile hydrochloride)
4057-63-0 structure
Product Name:tert.-butylaminoacetonitrile hydrochloride
CAS No:4057-63-0
MF:C6H13ClN2
MW:148.633820295334
CID:1005867
PubChem ID:13416931
Update Time:2025-04-20
tert.-butylaminoacetonitrile hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- tert.-butylaminoacetonitrile hydrochloride
- tert-butylaminoacetonitrile hydrochloride
- SCHEMBL10505160
- 2-(tert-butylamino)acetonitrile;hydrochloride
- 2-(TERT-BUTYLAMINO)ACETONITRILE HYDROCHLORIDE
- 4057-63-0
- WTGNOVIRAWZGDI-UHFFFAOYSA-N
- t-butylaminoacetonitrile hydrochloride
-
- Inchi： 1S/C6H12N2.ClH/c1-6(2,3)8-5-4-7;/h8H,5H2,1-3H3;1H
- InChI Key： WTGNOVIRAWZGDI-UHFFFAOYSA-N
- SMILES： Cl.N(CC#N)C(C)(C)C
Computed Properties
- Exact Mass: 148.0767261g/mol
- Monoisotopic Mass: 148.0767261g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 101
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 35.8?2
tert.-butylaminoacetonitrile hydrochloride Related Literature
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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