Basic information
- CAS
16089-43-3- Standard SMILES
Cc1cc(N)ccc1N1CCCC1- InChIKey
HXGBHCCAZHQXQV-UHFFFAOYSA-N- Molecular formula
- C11H16N2
- Average molar mass
- 176.26 g/mol
- Monoisotopic mass
- 176.13134852
Names & identifiers
- Preferred name
- Benzenamine, 3-methyl-4-(1-pyrrolidinyl)-
- IUPAC
- 3-methyl-4-pyrrolidin-1-ylaniline
- English name
- 3-Methyl-4-(pyrrolidin-1-yl)aniline
- Molecular formula
- C11H16N2
- Molecular weight
- 176.26
Names & synonyms
16089-43-3EINECS 240-243-1Benzenamine, 3-methyl-4-(1-pyrrolidinyl)-N-(4-Amino-2-methylphenyl)pyrrolidineDTXSID3066007RefChem:561732DTXCID90351773-Methyl-4-(pyrrolidin-1-yl)aniline3-Methyl-4-(1-pyrrolidinyl)aniline3-methyl-4-pyrrolidin-1-ylanilineMLS000566003SMR000153134
Show more names
3-Methyl-4-(1-pyrrolidyl)aniline1-(diphenylmethyl)-4-methoxybenzeneBENZENAMINE,3-METHYL-4-(1-PYRROLIDINYL)(3-methyl-4-pyrrolidin-1-yl-phenyl)amine
3-methyl-4-pyrrolidin-1-yl-aniline;hydrochlorideMFCD063367623-methyl-4-(1-pyrrolidinyl)benzenamineLE6NFT66MYcid_109673SCHEMBL6156455CHEMBL1620786SCHEMBL16824938
Database identifiers
- CAS
16089-43-3- PubChem CID
- 85277
- DTXSID
DTXSID3066007- ChEMBL
CHEMBL1620786- UNII
- LE6NFT66MY
- EC Number
- 240-243-1
- Nikkaji
- J68.906H
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 29.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Boiling point
- 339 · 339.0±35.0 °C(Predicted)
- Density
- 1.084 · 1.084±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 5.8 · 5.80±0.10(Predicted)
- EPA Substance Registry System
- 3 · Benzenamine, 3-methyl-4-(1-pyrrolidinyl)- (16089-43-3)
- TSCA
- TSCA listed
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
- hazard_class
- IRRITANT
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 3-methyl-4-(1-pyrrolidinyl)-: INACTIVE
Suppliers9 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海安米克化学品有限公司微信 18019252918 18019252918 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [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]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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