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1258640-05-9

1258640-05-9 | 1H-Pyrazol-4-amine, 1-(1,1-dimethylethyl)-, hydrochloride (1:1)

CAS No: 1258640-05-9 Catalog No: AG000OVM MDL No:MFCD17167137

Product Description

Catalog Number:
AG000OVM
Chemical Name:
1H-Pyrazol-4-amine, 1-(1,1-dimethylethyl)-, hydrochloride (1:1)
CAS Number:
1258640-05-9
Molecular Formula:
C7H14ClN3
Molecular Weight:
175.6592
MDL Number:
MFCD17167137
IUPAC Name:
tert-butyl N-(6-nitropyridin-2-yl)carbamate;hydrochloride
InChI:
InChI=1S/C10H13N3O4.ClH/c1-10(2,3)17-9(14)12-7-5-4-6-8(11-7)13(15)16;/h4-6H,1-3H3,(H,11,12,14);1H
InChI Key:
JOINNBPKEVVAQU-UHFFFAOYSA-N
SMILES:
CC(n1ncc(c1)N)(C)C.Cl

Properties

Complexity:
295  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.067g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
275.689g/mol
Monoisotopic Mass:
275.067g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
97A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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