Home Other Building Blocks N1-phenylbutane-1,2-diamine

N1-phenylbutane-1,2-diamine

CAS No.:
854459-39-5
Catalog Number:
AG01AP0C
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
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Product Description
Catalog Number:
AG01AP0C
Chemical Name:
N1-phenylbutane-1,2-diamine
CAS Number:
854459-39-5
Molecular Formula:
C10H16N2
Molecular Weight:
164.2474
MDL Number:
MFCD12796460
IUPAC Name:
1-N-phenylbutane-1,2-diamine
InChI:
InChI=1S/C10H16N2/c1-2-9(11)8-12-10-6-4-3-5-7-10/h3-7,9,12H,2,8,11H2,1H3
InChI Key:
SCYNFWCYOVOCTN-UHFFFAOYSA-N
SMILES:
CCC(CNc1ccccc1)N
Properties
Complexity:
108  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.131g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
164.252g/mol
Monoisotopic Mass:
164.131g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties