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101250-90-2 | Carbamic acid, N-[(5S)-5-amino-6-hydroxyhexyl]-, phenylmethyl ester
CAS No: 101250-90-2 Catalog No: AG00041L MDL No:MFCD00671688
Product Description
Catalog Number:
AG00041L
Chemical Name:
Carbamic acid, N-[(5S)-5-amino-6-hydroxyhexyl]-, phenylmethyl ester
CAS Number:
101250-90-2
Molecular Formula:
C14H22N2O3
Molecular Weight:
266.3361
MDL Number:
MFCD00671688
IUPAC Name:
benzyl N-[(5S)-5-amino-6-hydroxyhexyl]carbamate
InChI:
InChI=1S/C14H22N2O3/c15-13(10-17)8-4-5-9-16-14(18)19-11-12-6-2-1-3-7-12/h1-3,6-7,13,17H,4-5,8-11,15H2,(H,16,18)/t13-/m0/s1
InChI Key:
VCIWOXCDTQASKH-ZDUSSCGKSA-N
SMILES:
OC[C@H](CCCCNC(=O)OCc1ccccc1)N
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
266.163g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
266.341g/mol
Monoisotopic Mass:
266.163g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
84.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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