Home Nitriles 1-tert-Butyl-5-amino-1h-pyrrole-3-carbonitrile

1-tert-Butyl-5-amino-1h-pyrrole-3-carbonitrile

CAS No.:
269726-49-0
Catalog Number:
AG00BF1K
Molecular Formula:
C9H13N3
Molecular Weight:
163.2196
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$91
- +
5g
95%
1 week
United States
$246
- +
Product Description
Catalog Number:
AG00BF1K
Chemical Name:
1-tert-Butyl-5-amino-1h-pyrrole-3-carbonitrile
CAS Number:
269726-49-0
Molecular Formula:
C9H13N3
Molecular Weight:
163.2196
MDL Number:
MFCD11846194
IUPAC Name:
5-amino-1-tert-butylpyrrole-3-carbonitrile
InChI:
InChI=1S/C9H13N3/c1-9(2,3)12-6-7(5-10)4-8(12)11/h4,6H,11H2,1-3H3
InChI Key:
HPWLCRFUNOGQMD-UHFFFAOYSA-N
SMILES:
N#Cc1cn(c(c1)N)C(C)(C)C
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.111g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
163.224g/mol
Monoisotopic Mass:
163.111g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Properties