N-Boc-3-methoxyaniline - CAS 60144-52-7
Catalog: |
BB030601 |
Product Name: |
N-Boc-3-methoxyaniline |
CAS: |
60144-52-7 |
Synonyms: |
tert-butyl N-(3-methoxyphenyl)carbamate |
IUPAC Name: | tert-butyl N-(3-methoxyphenyl)carbamate |
Description: | N-Boc-3-methoxyaniline (CAS# 60144-52-7) is a useful research chemical. |
Molecular Weight: | 223.27 |
Molecular Formula: | C12H17NO3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC(=CC=C1)OC |
InChI: | InChI=1S/C12H17NO3/c1-12(2,3)16-11(14)13-9-6-5-7-10(8-9)15-4/h5-8H,1-4H3,(H,13,14) |
InChI Key: | CAJCPYDCXVZYBI-UHFFFAOYSA-N |
LogP: | 3.11520 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] |
Precautionary Statement: | P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113372243-A | Synthesis process of BOC-3-methoxy-2-methylaniline | 20210521 |
CN-110396108-A | A kind of preparation method of the compound of arylamine ortho position substitution | 20190805 |
JP-2016512823-A | Compounds for the modification of hemoglobin and their use | 20130315 |
JP-2019048893-A | Compounds for the modification of hemoglobin and their use | 20130315 |
JP-6463327-B2 | Compounds for the modification of hemoglobin and their use | 20130315 |
Complexity: | 235 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 223.1208434 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 223.1208434 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 47.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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