200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 116613-81-1
116613-81-1 | Carbamic acid, N-[(1S)-1-(hydroxymethyl)-3-buten-1-yl]-, 1,1-dimethylethyl ester
CAS No: 116613-81-1 Catalog No: AG000CVG MDL No:MFCD29042783
Product Description
Catalog Number:
AG000CVG
Chemical Name:
Carbamic acid, N-[(1S)-1-(hydroxymethyl)-3-buten-1-yl]-, 1,1-dimethylethyl ester
CAS Number:
116613-81-1
Molecular Formula:
C10H19NO3
Molecular Weight:
201.2628
MDL Number:
MFCD29042783
IUPAC Name:
tert-butyl N-[(2S)-1-hydroxypent-4-en-2-yl]carbamate
InChI:
InChI=1S/C10H19NO3/c1-5-6-8(7-12)11-9(13)14-10(2,3)4/h5,8,12H,1,6-7H2,2-4H3,(H,11,13)/t8-/m0/s1
InChI Key:
ABDSMVSRKFOYMR-QMMMGPOBSA-N
SMILES:
C=CC[C@H](NC(=O)OC(C)(C)C)CO
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
201.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
201.266g/mol
Monoisotopic Mass:
201.136g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.