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Home > Other Building Blocks > 1471-56-3
1471-56-3 | 1,3-Propanediol, 2-methyl-2-propyl-, 1-carbamate
CAS No: 1471-56-3 Catalog No: AG001ELL MDL No:
Product Description
Catalog Number:
AG001ELL
Chemical Name:
1,3-Propanediol, 2-methyl-2-propyl-, 1-carbamate
CAS Number:
1471-56-3
Molecular Formula:
C8H17NO3
Molecular Weight:
175.2255
IUPAC Name:
[2-(hydroxymethyl)-2-methylpentyl] carbamate
InChI:
InChI=1S/C8H17NO3/c1-3-4-8(2,5-10)6-12-7(9)11/h10H,3-6H2,1-2H3,(H2,9,11)
InChI Key:
YLMQVJBJTFVYNN-UHFFFAOYSA-N
SMILES:
CCCC(COC(=O)N)(CO)C
NSC Number:
108719
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.121g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.228g/mol
Monoisotopic Mass:
175.121g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Stability-indicating HPLC method for the determination of impurities in meprobamate with refractive index detection. | Journal of chromatographic science 20100301 |
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