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3-Chloro-1-methylpyrrolidine

HCID 12374095
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
10603-46-0
Standard SMILES
CN1CCC(Cl)C1
InChIKey
CAHQEQOLLRTHEM-UHFFFAOYSA-N
Molecular formula
C5H10ClN
Average molar mass
119.59 g/mol
Monoisotopic mass
119.050177

Names & identifiers

Preferred name
3-Chloro-1-methylpyrrolidine
IUPAC
3-chloro-1-methylpyrrolidine
English name
3-Chloro-1-Methyl-pyrrolidine
Molecular formula
C5H10ClN
Molecular weight
119.59

Names & synonyms

3-Chloro-1-methylpyrrolidine10603-46-03-Chloro-1-methyl-pyrrolidineMFCD183477443-chloro-1-methyl pyrrolidineSCHEMBL2038910SCHEMBL2044111SCHEMBL2044838SCHEMBL9699113DTXSID20494987CAHQEQOLLRTHEM-UHFFFAOYSA-NAKOS012694331
Show more names
Pyrrolidine, 3-chloro-1-methyl-
SB45809SY044760DB-304488G65912

Database identifiers

CAS
10603-46-0
PubChem CID
12374095
DTXSID
DTXSID20494987

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
7
Formal charge
0
Complexity
65.1

Physicochemical properties

Boiling point
45 · 45-60 °C(Press: 40 Torr)
Density
1.07 · 1.07±0.1 g/cm3(Predicted)
pka
8.53 · 8.53±0.40(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338

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

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Suppliers9 total

北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
江阴安博生物医药有限公司086-010-62176588 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]
苏州诺欧曼生物科技有限公司15026866316 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]

Related reactions

2 records
New reaction record
HRID 1438711 reaction equation
HRID 1438711As reactantuspto-grants-1977_11
HRID 1535721 reaction equation
HRID 1535721As reactantTraining data from https://doi.org/10.1039/C8SC04228D (1/10)

Compound notes

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