Home Other Building Blocks (1S)-1-[4-(2-methylpropoxy)phenyl]ethan-1-amine, acetic acid

(1S)-1-[4-(2-methylpropoxy)phenyl]ethan-1-amine, acetic acid

CAS No.:
1807938-90-4
Catalog Number:
AG01BDAA
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
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Product Description
Catalog Number:
AG01BDAA
Chemical Name:
(1S)-1-[4-(2-methylpropoxy)phenyl]ethan-1-amine, acetic acid
CAS Number:
1807938-90-4
Molecular Formula:
C14H23NO3
Molecular Weight:
253.3373
MDL Number:
MFCD28012446
IUPAC Name:
acetic acid;(1S)-1-[4-(2-methylpropoxy)phenyl]ethanamine
InChI:
InChI=1S/C12H19NO.C2H4O2/c1-9(2)8-14-12-6-4-11(5-7-12)10(3)13;1-2(3)4/h4-7,9-10H,8,13H2,1-3H3;1H3,(H,3,4)/t10-;/m0./s1
InChI Key:
FVHQHCIOKQXIMY-PPHPATTJSA-N
SMILES:
CC(COc1ccc(cc1)[C@@H](N)C)C.CC(=O)O
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
253.168g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
253.342g/mol
Monoisotopic Mass:
253.168g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties