Basic information
- CAS
54777-54-7- Standard SMILES
CN1CCCC1CCCl- InChIKey
CLVNTYZKUHNUEF-UHFFFAOYSA-N- Molecular formula
- C7H14ClN
- Average molar mass
- 147.64 g/mol
- Monoisotopic mass
- 147.08147713
Names & identifiers
- Preferred name
- 2-(2-Chloroethyl)-1-methylpyrrolidine
- IUPAC
- 2-(2-chloroethyl)-1-methylpyrrolidine
- English name
- 2-(2-Chloroethyl)-1-methylpyrrolidine
- Molecular formula
- C7H14ClN
- Molecular weight
- 147.65
Names & synonyms
2-(2-CHLOROETHYL)-1-METHYLPYRROLIDINE54777-54-7Pyrrolidine, 2-(2-chloroethyl)-1-methyl-NSC-1418171-Methyl-2-(2-chloroethyl)pyrrolidineMFCD08692013NSC1418172-(2-chloroethyl)-1-methyl-pyrrolidineSCHEMBL1383962CLVNTYZKUHNUEF-UHFFFAOYSA-DTXSID10970583C7GG57Y672
Show more names
Pyrrolidine,2-(2-chloroethyl)-1-methyl-
AKOS0062299042-(2-chloroethyl)-N-methylpyrrolidineFG-04012-(2-chloroethyl)-1 -methylpyrrolidine2-(2-chloro-ethyl)-1-methyl-pyrrolidineEN300-19841312-(2-Chloroethyl)-1-methylpyrrolidine, (+/-)-InChI=1/C7H14ClN/c1-9-6-2-3-7(9)4-5-8/h7H,2-6H2,1H3
Database identifiers
- CAS
54777-54-7、5525-31-5- PubChem CID
- 285093
- DTXSID
DTXSID10970583- UNII
- C7GG57Y672
- Nikkaji
- J25.982I
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 85
Physicochemical properties
- Melting point
- 120 · 120-122 °C(Solv: ethyl acetate (141-78-6))
- Boiling point
- 65 · 65-66 °C(Press: 11 Torr)
- Density
- 0.992 · 0.992±0.06 g/cm3(Predicted)
- pka
- 10.13 · 10.13±0.40(Predicted)
Chemistry & industry
Applications
Uses2-(2-Chloroethyl)-1-methylpyrrolidine is an intermediate used in synthesis of SIB 1553A Hyrdrochloride (S411000).
Suppliers6 total
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
南京斯泰尔医药科技有限公司025-86711996 18351956221 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海佰世凯生物科技有限公司021-20908456 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
32 records
Compound notes
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