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1784611-69-3 | Carbamic acid, N-[(5-amino-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS No: 1784611-69-3 Catalog No: AG00262O MDL No:MFCD27992259
Product Description
Catalog Number:
AG00262O
Chemical Name:
Carbamic acid, N-[(5-amino-3-pyridinyl)methyl]-, 1,1-dimethylethyl ester
CAS Number:
1784611-69-3
Molecular Formula:
C11H17N3O2
Molecular Weight:
223.2716
MDL Number:
MFCD27992259
IUPAC Name:
tert-butyl N-[(5-aminopyridin-3-yl)methyl]carbamate
InChI:
InChI=1S/C11H17N3O2/c1-11(2,3)16-10(15)14-6-8-4-9(12)7-13-5-8/h4-5,7H,6,12H2,1-3H3,(H,14,15)
InChI Key:
MFSWCXMTZUWPPN-UHFFFAOYSA-N
SMILES:
O=C(OC(C)(C)C)NCc1cncc(c1)N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.132g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.276g/mol
Monoisotopic Mass:
223.132g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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