Home Halogens N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide hydrochloride

N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide hydrochloride

CAS No.:
1583662-86-5
Catalog Number:
AG01BRNF
Molecular Formula:
C12H20Cl3N3O
Molecular Weight:
328.6657
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Product Description
Catalog Number:
AG01BRNF
Chemical Name:
N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide hydrochloride
CAS Number:
1583662-86-5
Molecular Formula:
C12H20Cl3N3O
Molecular Weight:
328.6657
MDL Number:
MFCD30535818
IUPAC Name:
N-(1-amino-2,4-dimethylpentan-2-yl)-4,5-dichloro-1H-pyrrole-2-carboxamide;hydrochloride
InChI:
InChI=1S/C12H19Cl2N3O.ClH/c1-7(2)5-12(3,6-15)17-11(18)9-4-8(13)10(14)16-9;/h4,7,16H,5-6,15H2,1-3H3,(H,17,18);1H
InChI Key:
BOBRHOAUAGAIDP-UHFFFAOYSA-N
SMILES:
NCC(NC(=O)c1[nH]c(c(c1)Cl)Cl)(CC(C)C)C.Cl
Properties
Complexity:
301  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.067g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
328.662g/mol
Monoisotopic Mass:
327.067g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
70.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties