Home Other Building Blocks 3-phenylbutane-1,2-diamine dihydrochloride

3-phenylbutane-1,2-diamine dihydrochloride

CAS No.:
1803583-93-8
Catalog Number:
AG01B8PL
Molecular Formula:
C10H18Cl2N2
Molecular Weight:
237.1693
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Product Description
Catalog Number:
AG01B8PL
Chemical Name:
3-phenylbutane-1,2-diamine dihydrochloride
CAS Number:
1803583-93-8
Molecular Formula:
C10H18Cl2N2
Molecular Weight:
237.1693
MDL Number:
MFCD28246594
IUPAC Name:
3-phenylbutane-1,2-diamine;dihydrochloride
InChI:
InChI=1S/C10H16N2.2ClH/c1-8(10(12)7-11)9-5-3-2-4-6-9;;/h2-6,8,10H,7,11-12H2,1H3;2*1H
InChI Key:
MOIJMOGYXZYXRO-UHFFFAOYSA-N
SMILES:
NCC(C(c1ccccc1)C)N.Cl.Cl
Properties
Complexity:
119  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0
Molecular Weight:
237.168g/mol
Monoisotopic Mass:
236.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
Properties