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75458-45-6 | Aziridine,2-methyl-1-(1-methylethyl)-3-phenyl-, trans- (9CI)
CAS No: 75458-45-6 Catalog No: AG005KQN MDL No:
Product Description
Catalog Number:
AG005KQN
Chemical Name:
Aziridine,2-methyl-1-(1-methylethyl)-3-phenyl-, trans- (9CI)
CAS Number:
75458-45-6
Molecular Formula:
C12H17N
Molecular Weight:
175.2701
IUPAC Name:
(2S,3S)-2-methyl-3-phenyl-1-propan-2-ylaziridine
InChI:
InChI=1S/C12H17N/c1-9(2)13-10(3)12(13)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t10-,12+,13?/m0/s1
InChI Key:
NAVCMYOUFSTBGP-LQNXFFKNSA-N
SMILES:
CC(N1[C@H]([C@@H]1c1ccccc1)C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
175.136g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.275g/mol
Monoisotopic Mass:
175.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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