HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

3,3-Dimethylpyrrolidine

HCID 14949211
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

CAS
3437-30-7
Standard SMILES
CC1(C)CCNC1
InChIKey
XBQNZPDIRJPFAI-UHFFFAOYSA-N
Molecular formula
C6H13N
Average molar mass
99.17 g/mol
Monoisotopic mass
99.10479942

Names & identifiers

Preferred name
3,3-Dimethylpyrrolidine
IUPAC
3,3-dimethylpyrrolidine
English name
3,3-Dimethylpyrrolidine
Molecular formula
C6H13N
Molecular weight
99.17

Names & synonyms

3,3-DIMETHYLPYRROLIDINE3437-30-7DTXSID40565921RefChem:1065641DTXCID60516697MFCD098643703,3-Dimethyl-pyrrolidinePyrrolidine, 3,3-dimethyl-, hydrochloridePYRROLIDINE, 3,3-DIMETHYL-Pyrrolidine, 3,3-dimethylSCHEMBL83077SCHEMBL293108
Show more names
ALINDA 116603,3-dimethylpyrrolidine(SALTDATA: FREE)
SCHEMBL3486514SCHEMBL7068182SCHEMBL279264283,3-Dimethyl-pyrrolidine, 98%ALBB-013349STL429762AKOS005174161PB14755

Database identifiers

CAS
3437-30-7
PubChem CID
14949211
DTXSID
DTXSID40565921
EC Number
805-091-8
Nikkaji
J2.762.535E

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
7
Formal charge
0
Complexity
66.6

Physicochemical properties

Boiling point
81 °C · 81 °C(Press: 13 Torr)
Density
0.8422 g/cm3 · 0.8422 g/cm3
storage temp.
2 · 2-8°C
pka
10.57 · 10.57±0.10(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
335 · H335-H315-H319
Precautionary statements
264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Hazard Codes
Xi,Xn
Risk Statements
22 · 22
HS Code
2933998090 · 2933998090

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Safety data

hs_code
2933998090
risk_code
22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi,Xn
Hazard statements
H335-H315-H319
Precautionary statements
P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

Uses3,3-Dimethylpyrrolidine can be used as kras inhibitors to inhibit human pancreatic adenocarcinoma cells.

Suppliers34 total

陕西缔都新材料有限公司81124267 17392282731 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
湖北广奥生物科技有限公司027-02702759223056 18162699093 · [email protected]
湖北成海化工有限公司027-59220433 18327245847 · [email protected]
北京恒普高药物化学科技有限公司010-81520996 13439320863 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
上海伯韵医药科技有限公司13817873692 · [email protected]
河南赢创生物科技有限公司15672878902 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海石鑫医药科技有限公司021-18621020637 18621020637 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
上海馨远医药科技有限公司021-24206007 13764915196 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
嘉兴市德亿化工有限公司0573-85866609 13325730825 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
江阴康源生物医药科技有限公司0510-86010668 · [email protected]
上海相辉医药科技有限公司[email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
湖北信康医药化工有限公司027-027-59308705 18871579363 · [email protected]
苏州启航生物科技有限公司18662190603 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
南京一览生物科技有限公司13851808754 · [email protected]
北京偶合科技有限公司13552068683 13522913783 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
湖北实顺生物科技有限公司027-59223025 15107168801 · [email protected]

Related reactions

27 records
New reaction record
HRID 14536 reaction equation
HRID 14536As reactantuspto-grants-2010_06
HRID 14537 reaction equation
HRID 14537As reactantuspto-grants-2010_06
HRID 316525 reaction equation
HRID 316525As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
HRID 400955 reaction equation
HRID 400955As reactantuspto-grants-2014_06
HRID 467655 reaction equation
HRID 467655As reactantuspto-grants-2014_01
HRID 467689 reaction equation
HRID 467689As reactantuspto-grants-2014_01
HRID 945348 reaction equation
HRID 945348As reactantValidation data from https://doi.org/10.1039/C8SC04228D
HRID 1008694 reaction equation
HRID 1008694As reactantuspto-grants-2011_07
Page 1 of 4

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes