Home Halogens (1s,4s)-4-(4-bromo-1H-pyrazol-1-yl)cyclohexan-1-amine dihydrochloride, cis

(1s,4s)-4-(4-bromo-1H-pyrazol-1-yl)cyclohexan-1-amine dihydrochloride, cis

CAS No.:
2031241-96-8
Catalog Number:
AG01B7FB
Molecular Formula:
C9H16BrCl2N3
Molecular Weight:
317.0534
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Product Description
Catalog Number:
AG01B7FB
Chemical Name:
(1s,4s)-4-(4-bromo-1H-pyrazol-1-yl)cyclohexan-1-amine dihydrochloride, cis
CAS Number:
2031241-96-8
Molecular Formula:
C9H16BrCl2N3
Molecular Weight:
317.0534
MDL Number:
MFCD09808264
IUPAC Name:
4-(4-bromopyrazol-1-yl)cyclohexan-1-amine;dihydrochloride
InChI:
InChI=1S/C9H14BrN3.2ClH/c10-7-5-12-13(6-7)9-3-1-8(11)2-4-9;;/h5-6,8-9H,1-4,11H2;2*1H
InChI Key:
DECULSREMREDCI-UHFFFAOYSA-N
SMILES:
N[C@@H]1CC[C@@H](CC1)n1ncc(c1)Br.Cl.Cl
Properties
Complexity:
168  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.99g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
317.052g/mol
Monoisotopic Mass:
314.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
43.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties