tert-Butyl 3-bromobenzylcarbamate - CAS 171663-13-1
Catalog: |
BB012763 |
Product Name: |
tert-Butyl 3-bromobenzylcarbamate |
CAS: |
171663-13-1 |
Synonyms: |
N-[(3-bromophenyl)methyl]carbamic acid tert-butyl ester; tert-butyl N-[(3-bromophenyl)methyl]carbamate |
IUPAC Name: | tert-butyl N-[(3-bromophenyl)methyl]carbamate |
Description: | tert-Butyl 3-bromobenzylcarbamate (CAS# 171663-13-1) is a useful research chemical. |
Molecular Weight: | 286.16 |
Molecular Formula: | C12H16BrNO2 |
Canonical SMILES: | CC(C)(C)OC(=O)NCC1=CC(=CC=C1)Br |
InChI: | InChI=1S/C12H16BrNO2/c1-12(2,3)16-11(15)14-8-9-5-4-6-10(13)7-9/h4-7H,8H2,1-3H3,(H,14,15) |
InChI Key: | BSEVOUCZQOLENZ-UHFFFAOYSA-N |
Boiling Point: | 374.3 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.319 g/cm3 |
Appearance: | Solid |
LogP: | 3.86470 |
GHS Hazard Statement: | H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020160180-A1 | Compounds and uses thereof | 20190129 |
WO-2019204505-A2 | K-ras modulators with a vinyl sulfonamide moiety | 20180418 |
TW-202012396-A | K-RAS regulator with vinylsulfonamide moiety | 20180418 |
WO-2019197546-A1 | Pharmaceutically active pyrazolo-triazine and/or pyrazolo-pyrimidine derivatives | 20180411 |
WO-2019196720-A1 | Arginine methyltransferase inhibitor, pharmaceutical composition thereof and use thereof | 20180408 |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 285.03644 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 285.03644 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 38.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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