Home Aminos Carbamic acid, N-[4-(aminomethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester, hydrochloride (1:2)

Carbamic acid, N-[4-(aminomethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester, hydrochloride (1:2)

CAS No.:
1226776-85-7
Catalog Number:
AG0017LJ
Molecular Formula:
C11H19Cl2N3O2
Molecular Weight:
296.1935
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Product Description
Catalog Number:
AG0017LJ
Chemical Name:
Carbamic acid, N-[4-(aminomethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester, hydrochloride (1:2)
CAS Number:
1226776-85-7
Molecular Formula:
C11H19Cl2N3O2
Molecular Weight:
296.1935
IUPAC Name:
tert-butyl N-[4-(aminomethyl)pyridin-2-yl]carbamate;dihydrochloride
InChI:
InChI=1S/C11H17N3O2.2ClH/c1-11(2,3)16-10(15)14-9-6-8(7-12)4-5-13-9;;/h4-6H,7,12H2,1-3H3,(H,13,14,15);2*1H
InChI Key:
XPXSIFJOJBGGHM-UHFFFAOYSA-N
SMILES:
NCc1ccnc(c1)NC(=O)OC(C)(C)C.Cl.Cl
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.085g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
296.192g/mol
Monoisotopic Mass:
295.085g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
77.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties