1,2-Diamino-3,5-dimethylbenzene - CAS 3171-46-8
Catalog: |
BB021032 |
Product Name: |
1,2-Diamino-3,5-dimethylbenzene |
CAS: |
3171-46-8 |
Synonyms: |
3,5-dimethylbenzene-1,2-diamine |
IUPAC Name: | 3,5-dimethylbenzene-1,2-diamine |
Description: | 1,2-Diamino-3,5-dimethylbenzene (CAS# 3171-46-8) is a useful reagent for the synthesis of benzimidazoles and benzimidazole conjugates. |
Molecular Weight: | 136.19 |
Molecular Formula: | C8H12N2 |
Canonical SMILES: | CC1=CC(=C(C(=C1)N)N)C |
InChI: | InChI=1S/C8H12N2/c1-5-3-6(2)8(10)7(9)4-5/h3-4H,9-10H2,1-2H3 |
InChI Key: | DMEPVFSJYHJGCD-UHFFFAOYSA-N |
MDL: | MFCD00972722 |
LogP: | 2.63020 |
GHS Hazard Statement: | H302 (100%): 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-2021124155-A1 | Benzimidazole derivatives | 20191220 |
CN-111097294-A | Preparation method of nanofiltration membrane for reclaimed water treatment | 20190820 |
WO-2021034834-A1 | Compositions for sunscreen compounds and methods thereof | 20190818 |
WO-2021028919-A1 | Methods and compositions for preventing skin toxicities caused by biological targeted cancer drugs | 20190812 |
US-2021087199-A1 | Synthetic Method for Benzimidazo[1,2-c]quinazolin-6-ones | 20190725 |
Complexity: | 114 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 136.100048391 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 136.100048391 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 52 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Related Functional Groups
Amines and Anilines
Nitrogen Compounds
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