Home Other Building Blocks 3a,4,5,6,7,7a-hexahydro-1H-1,3-benzodiazol-2-amine hydrochloride

3a,4,5,6,7,7a-hexahydro-1H-1,3-benzodiazol-2-amine hydrochloride

CAS No.:
91928-97-1
Catalog Number:
AG01ACFH
Molecular Formula:
C7H14ClN3
Molecular Weight:
175.6592
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Product Description
Catalog Number:
AG01ACFH
Chemical Name:
3a,4,5,6,7,7a-hexahydro-1H-1,3-benzodiazol-2-amine hydrochloride
CAS Number:
91928-97-1
Molecular Formula:
C7H14ClN3
Molecular Weight:
175.6592
MDL Number:
MFCD26407972
IUPAC Name:
3a,4,5,6,7,7a-hexahydro-1H-benzimidazol-2-amine;hydrochloride
InChI:
InChI=1S/C7H13N3.ClH/c8-7-9-5-3-1-2-4-6(5)10-7;/h5-6H,1-4H2,(H3,8,9,10);1H
InChI Key:
SHOLOTVCJJIERQ-UHFFFAOYSA-N
SMILES:
NC1=NC2C(N1)CCCC2.Cl
Properties
Complexity:
164  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.088g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
175.66g/mol
Monoisotopic Mass:
175.088g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties