2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol


Chemical Name: 2-[(1S)-3-[di(propan-2-yl)amino]-1-phenylpropyl]-4-(hydroxymethyl)phenol
CAS Number: 200801-70-3
Product Number: AG002D0R(AGN-PC-00KB9Y)
Synonyms:
MDL No:
Molecular Formula: C22H31NO2
Molecular Weight: 341.4870

Identification/Properties


Computed Properties
Molecular Weight:
341.495g/mol
XLogP3:
4.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
8
Exact Mass:
341.235g/mol
Monoisotopic Mass:
341.235g/mol
Topological Polar Surface Area:
43.7A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
357
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Danger
UN#:
2811
Hazard Statements:
H302-H319-H360
Precautionary Statements:
P201-P202-P264-P270-P280-P281-P301+P312-P305+P351+P338-P308+P313-P330-P337+P313-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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