CAS 3378-71-0 2,5-Dimethylpyrrolidine (HCID 96034)

Names & identifiers

Preferred name: 2,5-Dimethylpyrrolidine
IUPAC: 2,5-dimethylpyrrolidine
English name: 2,5-Dimethylpyrrolidine
Molecular formula: C6H13N
Molecular weight: 99.17

Names & synonyms

2,5-Dimethylpyrrolidine3378-71-0Pyrrolidine, 2,5-dimethyl-EINECS 222-178-0UNII-C6EG1921F4C6EG1921F4DTXSID80955362NSC 49109NSC-49109RefChem:82975DTXCID808928092,5-DIMETHYL-1H-PYRROLIDINE

Show more names

AKOS BBS-00003116TIMTEC-BB SBB0043702,5-Dimethylpyrrolidine97%2,5-DIMETHYLPYRROLIDINE 99%2,5-dimethylpyrrolidine,mixtureofcisandtrans2,5-Dimethylpyrrolidine, mixture of cis<2,5-Dimethylpyrrolidine,98%,mixture of cis and trans2,5-Dimethylpyrrolidine, mixture of cis/trans isomers

222-178-0ZEBFPAXSQXIPNF-UHFFFAOYSA-N2,5-dimethyl-pyrrolidineMFCD00005254(2S,5S)-2,5-dimethyl-pyrrolidinetrans-2,5-dimethyl-pyrrolidinecis-2,5-dimethyl-pyrrolidinetrans-2,5-dimethylpyrrolidine

Database identifiers

CAS: 3378-71-0
PubChem CID: 96034
DTXSID: DTXSID80955362
EC Number: 222-178-0
Nikkaji: J205.465E

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 53.2

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point: 105 · 105-106 °C(lit.)
Density: 0.81 g/mL · 0.81 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4299(lit.)
Flash point: 45 °F · 45 °F
storage temp.: Flammables area
pka: 11.36 · 11.36±0.10(Predicted)
form: liquid
InChI: 1S/C6H13N/c1-5-3-4-6(2)7-5/h5-7H,3-4H2,1-2H3
InChIKey: ZEBFPAXSQXIPNF-UHFFFAOYSA-N
SMILES: CC1CCC(C)N1
CAS DataBase Reference: 3378 · 3378-71-0
FDA UNII: 6 EG1921F4 · C6EG1921F4
NIST Chemistry Reference: 2 · 2,5-Dimethyl-pyrrolidine(3378-71-0)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Danger
Hazard statements: 225 · H225-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
target organs: Respiratory system
PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: F,Xi,C
Risk Statements: 11 · 11-36/37/38-34
Safety Statements: 16 · 16-26-36/37/39-45
RIDADR: 1993 · UN 1993 3/PG 2
WGK Germany: 3 · 3
Hazard Note: Highly Flammable/Irritant
HazardClass: 3.1 · 3.1
PackingGroup: II
HS Code: 29339980 · 29339980
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Flam · Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Limited Quantities: 1 L · 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 2 (100%)

Safety data

PPE: Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 3
ridadr: UN 1993 3/PG 2
hs_code: 29339980
risk_code: 11-36/37/38-34
Signal word: Danger
Symbol(GHS): GHS02,GHS07
hazard_code: F,Xi,C
hazard_note: Highly Flammable/Irritant
safety_code: 16-26-36/37/39-45
hazard_class: 3.1
Storage Class: 3 - Flammable liquids
packing_group: II
target organs: Respiratory system
Hazard statements: H225-H315-H319-H335
Limited Quantities: 1.0 L (0.3 gallon) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Hazard Classifications: Eye Irrit. 2Flam. Liq. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses2,5-Dimethylpyrrolidine is a building block that has been used as a reactant for the preparation of adenosine A2A/A1 receptor antagonists for the treatment of parkinson’s disease and piperidinylamino pyrrolopyrimidine derivatives as selective Janus kinase inhibitors for the treatment of autoimmune diseases and organ transplant rejection.