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147927-61-5

147927-61-5 | Bicyclo[1.1.1]pentane-1,3-diamine, hydrochloride (1:2)

CAS No: 147927-61-5 Catalog No: AG001FAM MDL No:MFCD27976569

Product Description

Catalog Number:
AG001FAM
Chemical Name:
Bicyclo[1.1.1]pentane-1,3-diamine, hydrochloride (1:2)
CAS Number:
147927-61-5
Molecular Formula:
C5H12Cl2N2
Molecular Weight:
171.0682
MDL Number:
MFCD27976569
IUPAC Name:
bicyclo[1.1.1]pentane-1,3-diamine;dihydrochloride
InChI:
InChI=1S/C5H10N2.2ClH/c6-4-1-5(7,2-4)3-4;;/h1-3,6-7H2;2*1H
InChI Key:
LBZWAZRHOPVPHB-UHFFFAOYSA-N
SMILES:
NC12CC(C1)(C2)N.Cl.Cl

Properties

Complexity:
79.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
170.038g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
171.065g/mol
Monoisotopic Mass:
170.038g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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