Basic information
- CAS
74852-81-6- Standard SMILES
Cc1nccn1-c1ccc(N)cc1- InChIKey
IEZCMVRWKNEHJB-UHFFFAOYSA-N- Molecular formula
- C10H11N3
- Average molar mass
- 173.21 g/mol
- Monoisotopic mass
- 173.09529735
Names & identifiers
- Preferred name
- 4-(2-methyl-1H-imidazol-1-yl)aniline
- IUPAC
- 4-(2-methylimidazol-1-yl)aniline
- English name
- 4-(2-METHYLIMIDAZOL-1-YL)PHENYLAMINE
- Molecular formula
- C10H11N3
- Molecular weight
- 173.21
Names & synonyms
74852-81-64-(2-methyl-1H-imidazol-1-yl)anilineDTXSID40390134RefChem:512626DTXCID20340995860-342-94-(2-Methylimidazol-1-yl)phenylamine4-(2-methylimidazol-1-yl)aniline4-(2-Methyl-imidazol-1-yl)-phenylamineMFCD06797788Benzenamine, 4-(2-methyl-1H-imidazol-1-yl)-EN300-230665
Show more names
AKOS B029445CHEMBRDG-BB 4010370ASINEX-REAG BAS 087675824-(2-Methylimidazol-1-yl)4-(2-Methyl-1-imidazolyl)aniline4-(2-Methylimidazol-1-yl)phenylamine95%4-(2-Methyl-1H-imidazol-1-yl)aniline97%
1-(4-aminophenyl)-2-methylimidazole4-(2-methylimidazolyl)phenylamine4-(2-methyl-1H-imidazol-1-yl)benzenamineA1CWHSCHEMBL265184orb30315724-(2-methylimidazolyl)-anilineIEZCMVRWKNEHJB-UHFFFAOYSA-N
Database identifiers
- CAS
74852-81-6- PubChem CID
- 3157478
- DTXSID
DTXSID40390134- EC Number
- 860-342-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 43.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- Melting point
- 111.5 °C · 111.5 °C
- Boiling point
- 378.5 · 378.5±44.0 °C(Predicted)
- Density
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 7.49 · 7.49±0.10(Predicted)
- form
- solid
- color
- Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 41 · 41
- Safety Statements
- 26 · 26-39
- Hazard Note
- Harmful
- HazardClass
- IRRITANT
- HS Code
- 2933299090 · 2933299090
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 (100%): 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 (100%)
Safety data
- hs_code
- 2933299090
- risk_code
- 41
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Harmful
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers44 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海瀚麟生物科技有限公司183-0212-4410 18302124410 · [email protected]
Aladdin Scientific[email protected]
Syntechem Co.,Ltd[email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海恩诺生物科技有限公司+86 (21) 6435-5022
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
菏泽博纳医药科技有限公司15865805009 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海超岚化工科技中心（原宁波市超明生物科技有限公司）13301662590 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
上海修时生物医药有限公司15002184385 15021598081 15002184385 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
上海相辉医药科技有限公司[email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海吉至生化科技有限公司021-4009004166/18616739031 18616739031 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
常州千艾生物科技有限公司051915240519135 13961152745 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
新沂华琚医药科技有限公司13761372795 · [email protected]
陕西国槐硕海医药科技有限公司029-13279368192 13279368192 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
重庆卡兰医药有限公司[email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
31 records
Compound notes
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