Basic information
- CAS
83732-75-6- Standard SMILES
Cn1cccc1CCN- InChIKey
ITFDYXKCBZEBDG-UHFFFAOYSA-N- Molecular formula
- C7H12N2
- Average molar mass
- 124.18 g/mol
- Monoisotopic mass
- 124.10004838
Names & identifiers
- Preferred name
- 1-methyl-1H-pyrrole-2-ethylamine
- IUPAC
- 2-(1-methylpyrrol-2-yl)ethanamine
- English name
- 2-(2-AMINOETHYL)-1-METHYLPYRROLIDINE
- Molecular formula
- C7H12N2
- Molecular weight
- 124.18
Names & synonyms
1-Methyl-1H-pyrrole-2-ethylamineEINECS 280-626-0RefChem:433923280-626-02-(1-Methyl-1H-pyrrol-2-yl)ethanamine83732-75-62-(1-methylpyrrol-2-yl)ethanamine2-(2-Aminoethyl)-1-methylpyrroleMFCD000097532-(1-methyl-1H-pyrrol-2-yl)ethan-1-amine2-[2-Aminoethyl]-1-methylpyrrole2-(1-methyl-1H-pyrrol-2-yl)ethylamine
Show more names
1-Methyl-1H-pyrrole-2-ethanamine1H-Pyrrole-2-ethanamine, 1-methyl-2-(2-Aminoethyl)-1-methyl-1H-pyrrole2-(2-AMINOETHYL)-N-METHYL PYRROLIDINE
SCHEMBL444647SCHEMBL25671462-(2-aminoethyl)-1-methylpyrrolDTXSID401003758IDA732752-(1-Methyl-2-pyrrolyl)ethanamine2-(1-Methylpyrrol-2-yl)ethylamine2-(2-aminoethyl)-1-methyl-pyrrole
Database identifiers
- CAS
83732-75-6- PubChem CID
- 565058
- DTXSID
DTXSID401003758- EC Number
- 280-626-0
- Nikkaji
- J236.631B
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 31 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 83
Physicochemical properties
- Boiling point
- 70 · 70-71 °C(Press: 1.5 Torr)
- Density
- 0.885 g/mL · 0.885 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4684(lit.)
- Flash point
- 149 °F · 149 °F
- pka
- 10.4 · 10.40±0.10(Predicted)
- form
- liquid
- InChI
- 1S/C7H12N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4-5,8H2,1H3
- InChIKey
- ITFDYXKCBZEBDG-UHFFFAOYSA-N
- SMILES
- Cn1cccc1CCN
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 315 · H315-H318-H335
- Precautionary statements
- 261 · P261-P280-P305+P351+P338
- target organs
- Respiratory system
Safety & regulation
GHS classification
GHS Classification
Danger
H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)
Safety data
- wgk
- 2
- hs_code
- 2933998090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-39
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H318-H335
- Hazard Classifications
- Eye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P280-P305+P351+P338
Chemistry & industry
Suppliers16 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
Aladdin Scientific[email protected]
天津林宸科技有限公司15122256084 15122256084 · [email protected]
谱尼生物医药科技（上海）有限公司021-021-64851999-6515-6515 13817808647 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南京伶亚生物医药科技有限公司18068075658 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
上海颖心实验室设备有限公司021-021-59178156 15300768757 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
西安敏则医药科技有限公司13981836672 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology
Related reactions
58 records
Compound notes
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