N-Boc-m-phenylenediamine - CAS 68621-88-5
Catalog: |
BB033596 |
Product Name: |
N-Boc-m-phenylenediamine |
CAS: |
68621-88-5 |
Synonyms: |
tert-butyl N-(3-aminophenyl)carbamate |
IUPAC Name: | tert-butyl N-(3-aminophenyl)carbamate |
Description: | N-Boc-m-phenylenediamine (CAS# 68621-88-5) is a useful research chemical. |
Molecular Weight: | 208.26 |
Molecular Formula: | C11H16N2O2 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=CC=CC(=C1)N |
InChI: | InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-9-6-4-5-8(12)7-9/h4-7H,12H2,1-3H3,(H,13,14) |
InChI Key: | IEUIEMIRUXSXCL-UHFFFAOYSA-N |
Boiling Point: | 295.142 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.152 g/cm3 |
MDL: | MFCD06657915 |
LogP: | 3.27000 |
GHS Hazard Statement: | H302 (97.67%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P312, P305+P351+P338, P330, P337+P313, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113461636-A | Benzothiazole-containing phenylalanine derivative and preparation method and application thereof | 20210604 |
CN-113264874-A | Substituted diaryl urea derivative and preparation method and application thereof | 20210521 |
CN-112962165-A | Spandex fiber with reversible three-shape memory effect and preparation method and application thereof | 20210121 |
CN-112663168-A | Spandex fiber with reversible shape memory effect and preparation method and application thereof | 20201222 |
WO-2021195295-A1 | Bifunctional molecules and methods of using thereof | 20200324 |
Complexity: | 223 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.121177757 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.121177757 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Amines and Anilines
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