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88286-02-6 | 2-Aziridinecarbonitrile, 1,3-dimethyl-, cis-
CAS No: 88286-02-6 Catalog No: AG0049TH MDL No:
Product Description
Catalog Number:
AG0049TH
Chemical Name:
2-Aziridinecarbonitrile, 1,3-dimethyl-, cis-
CAS Number:
88286-02-6
Molecular Formula:
C5H8N2
Molecular Weight:
96.1304
IUPAC Name:
(2R,3R)-1,3-dimethylaziridine-2-carbonitrile
InChI:
InChI=1S/C5H8N2/c1-4-5(3-6)7(4)2/h4-5H,1-2H3/t4-,5+,7?/m1/s1
InChI Key:
BWPRCKWHNVBHKQ-GXFGBBIGSA-N
SMILES:
N#C[C@H]1[C@H](N1C)C
Properties
Complexity:
121
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
96.069g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
96.133g/mol
Monoisotopic Mass:
96.069g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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