1-Pyrrolidino-1-cyclohexene (HCID 70768)

Overview

1-(cyclohexen-1-yl)pyrrolidine is an organic molecular entity.

Names & identifiers

Preferred name: 1-Pyrrolidino-1-cyclohexene
IUPAC: 1-(cyclohexen-1-yl)pyrrolidine
English name: 1-Pyrrolidino-1-cyclohexene
Molecular formula: C10H17N
Molecular weight: 151.25

Names & synonyms

1-Pyrrolidino-1-cyclohexeneRefChem:8284111125-99-11-(cyclohex-1-en-1-yl)pyrrolidine1-(Cyclohexen-1-yl)pyrrolidine1-Pyrrolidinocyclohexene1-(1-Cyclohexen-1-yl)pyrrolidinePyrrolidine, 1-(1-cyclohexen-1-yl)-1-(1-Pyrrolidinyl)cyclohexeneCyclohexanone pyrrolidine enamine1-cyclohex-1-en-1-ylpyrrolidineMFCD00003163

Show more names

1-Pyrrolizinocyclohexene1-cyclohexenylpyrrolidine1-PYRROLIDINO-2-CYCLOHEXENEN-Pyrrolidino-1-cyclohexene1-Pyrrolizino-1-cyclohexene1-pyrrolidine-1-cyclohexene1-(1-PYRROLIDINO)CYCLOHEXENE

1-(1-Cyclohexenyl)pyrrolidineN-(1-Cyclohexen-1-yl)pyrrolidineN-(Cyclohex-1-en-1-yl)pyrrolidine1-Pyrrolidinyl-1-cyclohexeneN-(1-Cyclohexenyl)pyrrolidine1-(1-Pyrrolidino)-1-cyclohexene1-cyclohex-1-enyl-pyrrolidineNSC 29652

Database identifiers

CAS: 1125-99-1
PubChem CID: 70768
DTXSID: DTXSID00150079
ChEBI: CHEBI:233089
UNII: 5XU8FH2E7N
EC Number: 214-414-6
Nikkaji: J80.185B

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 154

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 113 °C · 113 °C
Boiling point: 114 · 114-115 °C/15 mmHg (lit.)
Density: 0.94 g/mL · 0.94 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.5217(lit.)
Flash point: 103 °F · 103 °F
storage temp.: 2 · 2-8°C
pka: 8.91 · 8.91±0.20(Predicted)
form: Liquid
color: Clear light yellow
Sensitive: Air Sensitive
BRN: 114797 · 114797
CAS DataBase Reference: 1125 · 1125-99-1(CAS DataBase Reference)
NIST Chemistry Reference: 1 · Pyrrolidine, 1-(1-cyclohexen-1-yl)-(1125-99-1)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS07
Signal word: Warning
Hazard statements: 226 · H226-H315-H319-H335
Precautionary statements: 210 · P210-P302+P352-P305+P351+P338
Hazard Codes: Xi,Xn
Risk Statements: 10 · 10-36/37/38-20/21/22
Safety Statements: 16 · 16-26-36/37/39
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29339980 · 29339980
Limited Quantities: 5 L · 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H226 (91.1%): Flammable liquid and vapor [Warning 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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (91.1%)

Safety data

wgk: 3
ridadr: UN 1993 3/PG 3
hs_code: 29339980
risk_code: 10-36/37/38-20/21/22
Signal word: Warning
Symbol(GHS): GHS02,GHS07
hazard_code: Xi,Xn
safety_code: 16-26-36/37/39
hazard_class: 3
packing_group: III
Hazard statements: H226-H315-H319-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Precautionary statements: P210-P302+P352-P305+P351+P338

Chemistry & industry

Applications

Uses1-Pyrrolidino-1-cyclohexene is a cyclic enamine that is used as an electron-rich dienophile in synthetic reactions.

Upstream & downstream products

Upstream raw materials

2,2-Dimethyl-1,3-dioxan-5-one Cyclohexanone

Downstream products

Ethyl 3-methyl-4,5,6,7-tetrahydro-1H-indole-2-carboxylate 4,5,6,7-Tetrahydro-1H-indazole-3-carboxylic acid ethyl ester 2-Allylcyclohexanone Cyclohexanone, 2-(2-propyn-1-yl)-3-[1-[(2-methoxyphenyl)methyl]-2-oxo-cyclohexyl]propanoic acid 2-(2,4-Dinitrophenyl)cyclohexanone Ethanone, 1-[5,6,7,8-tetrahydro-1-(methylthio)-3-isoquinolinyl]-2-(2-Oxo-2-phenyl-ethyl)-cyclohexanone Pelubiprofen Impurity

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]

北京福源坊科技有限公司010-57903446 15869909019 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

41 records

New reaction record

HRID 16219As reactantuspto-grants-2010_06

HRID 102029As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119885As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 127008As reactantuspto-grants-1981_03

HRID 163663As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 309720As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 345308As productuspto-grants-1991_10

HRID 430633As productuspto-grants-2001_11

Linked notes

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Basic information