Basic information
- CAS
6285-68-3- Standard SMILES
Cc1ccc2nc(N)[nH]c2c1- InChIKey
MZZZAWDOYQWKMR-UHFFFAOYSA-N- Molecular formula
- C8H9N3
- Average molar mass
- 147.18 g/mol
- Monoisotopic mass
- 147.0796473
Names & identifiers
- Preferred name
- 5-Methyl-2-aminobenzimidazole
- IUPAC
- 6-methyl-1H-benzimidazol-2-amine
- English name
- 5-Methyl-1H-benzimidazol-2-amine
- Molecular formula
- C8H9N3
- Molecular weight
- 147.18
Names & synonyms
5-Methyl-1H-benzimidazol-2-amine6285-68-35-Methyl-2-aminobenzimidazole1H-Benzimidazol-2-amine, 5-methyl-2-amino-5-methylbenzimidazole5-methyl-1H-1,3-benzodiazol-2-amineCCRIS 435644V7C5WTS8AI3-60093NSC-10547DTXSID20212022NSC 10547
Show more names
5-methyl-1h-benzimidazol-2-amin5-METHYL-1H-BENZIMIDAZOLE-2-AMINE1H-Benzimidazol-2-amine, 6-methyl-6-Methyl-1H-Benzoimidazol-2-Ylamine
AMINO-5-METHYLBENZIMIDAZOLE, 2-RefChem:537004DTXCID20134513858-005-66-Methyl-1H-benzo[d]imidazol-2-amine5-METHYL-1H-BENZO[D]IMIDAZOL-2-AMINE6-methyl-1H-benzimidazol-2-amineMFCD01658297
Database identifiers
- CAS
6285-68-3- PubChem CID
- 80495
- DTXSID
DTXSID20212022- ChEMBL
CHEMBL2392116- UNII
- 44V7C5WTS8
- EC Number
- 858-005-6
- Nikkaji
- J484.322C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
LogP1.11
Physicochemical properties
- Melting point
- 196 · 196-197 °C
- Boiling point
- 374.8 · 374.8±35.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, protect from light
- pka
- 11.45 · 11.45±0.10(Predicted)
- form
- solid
- Appearance
- White to yellow Solid
- InChI
- 1S/C8H9N3/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3,(H3,9,10,11)
- InChIKey
- MZZZAWDOYQWKMR-UHFFFAOYSA-N
- SMILES
- Cc1ccc2[nH]c(N)nc2c1
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 44 V7C5WTS8 · 44V7C5WTS8
- UNSPSC Code
- 12352116 · 12352116
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- WGK Germany
- 2 · WGK 2
- HazardClass
- IRRITANT
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- wgk
- WGK 2
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers25 total
陕西科贝莱药物研发有限公司13119135307 13119135307 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
Compound Net Biotechnology Inc.15266686121 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海渤腾医药科技有限公司13524892556 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海超岚化工科技中心（原上海巢莱）0-2022843681 15618226720 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
上海人兮科技有限公司021-67759270 17717059219 · [email protected]
河北唯特医药科技有限公司13180081292 13180081292 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
聿锦（天津）科技有限公司13370351217 kungfu1217@1 · [email protected]
范德(北京)生物科技有限责任公司15911056312 · [email protected]
Aladdin Scientific[email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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