Home Aminos Phenol, 2-[(butylamino)methyl]-

Phenol, 2-[(butylamino)methyl]-

CAS No.:
62498-73-1
Catalog Number:
AG00IB14
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
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Product Description
Catalog Number:
AG00IB14
Chemical Name:
Phenol, 2-[(butylamino)methyl]-
CAS Number:
62498-73-1
Molecular Formula:
C11H17NO
Molecular Weight:
179.2588
MDL Number:
MFCD11142460
IUPAC Name:
2-(butylaminomethyl)phenol
InChI:
InChI=1S/C11H17NO/c1-2-3-8-12-9-10-6-4-5-7-11(10)13/h4-7,12-13H,2-3,8-9H2,1H3
InChI Key:
PONJIBXMJRAIKJ-UHFFFAOYSA-N
SMILES:
CCCCNCc1ccccc1O
Properties
Complexity:
127  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.131g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
179.263g/mol
Monoisotopic Mass:
179.131g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
[The relationship between structure and tuberculostatic effect in the benzylamine group]. Die Pharmazie 19760601
Properties