| CAS Number | 91230-06-7 |
| Catalog Number | AG00H0NP(AGN-PC-00LX4N) |
| Chemical Name | Carbamic acid, (2-methyl-2-propenyl)-, 1,1-dimethylethyl ester (9CI) |
| IUPAC Name | tert-butyl N-(2-methylprop-2-enyl)carbamate |
| InChI | InChI=1S/C9H17NO2/c1-7(2)6-10-8(11)12-9(3,4)5/h1,6H2,2-5H3,(H,10,11) |
| InChI Key | KNDCLOGKZOTPEJ-UHFFFAOYSA-N |
| MDL Number | MFCD24465623 |
| Molecular Formula | C9H17NO2 |
| Molecular Weight | 171.2368 |
| SMILES | CC(CNC(OC(C)(C)C)=O)=C |
| Synonyms | 91230-06-7,
tert-butyl N-(2-methylprop-2-en-1-yl)carbamate,
tert-Butyl (2-methylallyl)carbamate,
SCHEMBL3131272,
KS-00002BGB,
KNDCLOGKZOTPEJ-UHFFFAOYSA-N,
ZINC39094348,
AKOS026675683,
Carbamic acid, (2-methyl-2-propenyl)-, 1,1-dimethylethyl ester (9CI),
tert-Butyl N-(2-methylallyl)carbamate,
SS-4947,
Carbamicacid, -,1,1-dimethylethylester,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.24g/mol |
| Monoisotopic Mass | 171.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number