| CAS Number | 220074-38-4 |
| Catalog Number | AG00BHRU(AGN-PC-0WALPS) |
| Chemical Name | (2-Chloro-ethyl)-methyl-carbamic acid tert-butyl ester |
| IUPAC Name | tert-butyl N-(2-chloroethyl)-N-methylcarbamate |
| InChI | InChI=1S/C8H16ClNO2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6H2,1-4H3 |
| InChI Key | VQFOCOGVVYWWRJ-UHFFFAOYSA-N |
| MDL Number | MFCD20624610 |
| Molecular Formula | C8H16ClNO2 |
| Molecular Weight | 193.6711 |
| SMILES | C(=O)(N(CCCl)C)OC(C)(C)C |
| Synonyms | 220074-38-4,
tert-butyl (2-chloroethyl)(methyl)carbamate,
tert-butyl N-(2-chloroethyl)-N-methylcarbamate,
1,1-dimethylethyl N-(2-chloroethyl)-N-methylcarbamate,
SCHEMBL559018,
VQFOCOGVVYWWRJ-UHFFFAOYSA-N,
ZINC88077324,
AKOS017531185,
tert-butyl (2-chloroethyl)methylcarbamate,
tert-butyl 2-chloroethyl(methyl)carbamate,
(2-chloro-ethyl)-methyl-carbamic acid tert-butyl ester,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.087g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.671g/mol |
| Monoisotopic Mass | 193.087g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number