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85363-04-8 | N-(tert-Butoxycarbonyl);-2-aminoacetonitrile
CAS No: 85363-04-8 Catalog No: AG003SFB MDL No:MFCD00239390
Product Description
Catalog Number:
AG003SFB
Chemical Name:
N-(tert-Butoxycarbonyl);-2-aminoacetonitrile
CAS Number:
85363-04-8
Molecular Formula:
C7H12N2O2
Molecular Weight:
156.1824
MDL Number:
MFCD00239390
IUPAC Name:
tert-butyl N-(cyanomethyl)carbamate
InChI:
InChI=1S/C7H12N2O2/c1-7(2,3)11-6(10)9-5-4-8/h5H2,1-3H3,(H,9,10)
InChI Key:
SMZKPZXYDDZDJG-UHFFFAOYSA-N
SMILES:
N#CCNC(=O)OC(C)(C)C
Properties
Complexity:
184
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.09g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
156.185g/mol
Monoisotopic Mass:
156.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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