N2-Boc-3-methoxy-1,2-benzenediamine - CAS 954238-84-7
Catalog: |
BB041715 |
Product Name: |
N2-Boc-3-methoxy-1,2-benzenediamine |
CAS: |
954238-84-7 |
Synonyms: |
N-(2-amino-6-methoxyphenyl)carbamic acid tert-butyl ester; tert-butyl N-(2-amino-6-methoxyphenyl)carbamate |
IUPAC Name: | tert-butyl N-(2-amino-6-methoxyphenyl)carbamate |
Description: | N2-Boc-3-methoxy-1,2-benzenediamine (CAS# 954238-84-7) is a useful research chemical. |
Molecular Weight: | 238.28 |
Molecular Formula: | C12H18N2O3 |
Canonical SMILES: | CC(C)(C)OC(=O)NC1=C(C=CC=C1OC)N |
InChI: | InChI=1S/C12H18N2O3/c1-12(2,3)17-11(15)14-10-8(13)6-5-7-9(10)16-4/h5-7H,13H2,1-4H3,(H,14,15) |
InChI Key: | DGOXKILXOLITHS-UHFFFAOYSA-N |
Boiling Point: | 322.192 °C at 760 mmHg |
Density: | 1.164 g/cm3 |
LogP: | 3.27860 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P317, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2011081315-A1 | Novel macrocyclic inhibitors of hepatitis c virus replication | 20090928 |
WO-2011038293-A1 | Cyclic peptide inhibitors of hepatitis c virus replication | 20090928 |
Complexity: | 263 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.13174244 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.13174244 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 73.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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