N1-Boc-4-methyl-1,3-phenylenediamine - CAS 660838-05-1
Catalog: |
BB032901 |
Product Name: |
N1-Boc-4-methyl-1,3-phenylenediamine |
CAS: |
660838-05-1 |
Synonyms: |
N-(3-amino-4-methylphenyl)carbamic acid tert-butyl ester; tert-butyl N-(3-amino-4-methylphenyl)carbamate |
IUPAC Name: | tert-butyl N-(3-amino-4-methylphenyl)carbamate |
Description: | N1-Boc-4-methyl-1,3-phenylenediamine (CAS# 660838-05-1) is a useful research chemical. |
Molecular Weight: | 222.28 |
Molecular Formula: | C12H18N2O2 |
Canonical SMILES: | CC1=C(C=C(C=C1)NC(=O)OC(C)(C)C)N |
InChI: | InChI=1S/C12H18N2O2/c1-8-5-6-9(7-10(8)13)14-11(15)16-12(2,3)4/h5-7H,13H2,1-4H3,(H,14,15) |
InChI Key: | HOVDUPXBRBXFBP-UHFFFAOYSA-N |
LogP: | 3.57840 |
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 |
WO-2021038419-A1 | Kinase inhibitors and methods of synthesis and treatment | 20190823 |
AU-2014330940-A1 | Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 | 20131004 |
AU-2014330940-B2 | Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 | 20131004 |
CA-2925182-A1 | Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 | 20131004 |
EP-3052492-A1 | Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 | 20131004 |
Complexity: | 248 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 222.136827821 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 222.136827821 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 64.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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