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1217462-63-9 | Butanoic acid, 2-azido-3-methyl-, compd. with cyclohexanamine (1:1), (2S)-
CAS No: 1217462-63-9 Catalog No: AG0015OK MDL No:
Product Description
Catalog Number:
AG0015OK
Chemical Name:
Butanoic acid, 2-azido-3-methyl-, compd. with cyclohexanamine (1:1), (2S)-
CAS Number:
1217462-63-9
Molecular Formula:
C11H22N4O2
Molecular Weight:
242.3180
IUPAC Name:
(2S)-2-azido-3-methylbutanoic acid;cyclohexanamine
InChI:
InChI=1S/C6H13N.C5H9N3O2/c7-6-4-2-1-3-5-6;1-3(2)4(5(9)10)7-8-6/h6H,1-5,7H2;3-4H,1-2H3,(H,9,10)/t;4-/m.0/s1
InChI Key:
YMXXCNHHCIMTCV-VWMHFEHESA-N
SMILES:
NC1CCCCC1.[N-]=[N+]=N[C@H](C(=O)O)C(C)C
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
242.174g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.323g/mol
Monoisotopic Mass:
242.174g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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