Home Other Building Blocks 2-Methyl-4-(1-pyrrolidinylmethyl)phenol

2-Methyl-4-(1-pyrrolidinylmethyl)phenol

CAS No.:
917828-25-2
Catalog Number:
AG01EB43
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
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Product Description
Catalog Number:
AG01EB43
Chemical Name:
2-Methyl-4-(1-pyrrolidinylmethyl)phenol
CAS Number:
917828-25-2
Molecular Formula:
C12H17NO
Molecular Weight:
191.2695
MDL Number:
MFCD23163270
IUPAC Name:
2-methyl-4-(pyrrolidin-1-ylmethyl)phenol
InChI:
InChI=1S/C12H17NO/c1-10-8-11(4-5-12(10)14)9-13-6-2-3-7-13/h4-5,8,14H,2-3,6-7,9H2,1H3
InChI Key:
CCKMVVKXIWOUQD-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1C)CN1CCCC1
Properties
Complexity:
177  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.131g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.274g/mol
Monoisotopic Mass:
191.131g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties