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1-Pyrrolidinecarboxaldehyde

1-Pyrrolidinecarboxaldehyde structure

CAS No:
3760-54-1
Formula:
C5H9NO
Chemical Name:
1-Pyrrolidinecarboxaldehyde
Synonyms:
1-Pyrrolidinecarboxaldehyde;N-Formylpyrrolidine;1-Formylpyrrolidine;NSC 42516
Categories:
Organic Chemistry > Heterocyclic Ring

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Description

CLEAR SLIGHTLY YELLOW LIQUID

1-Pyrrolidinecarboxaldehyde is a member of pyrrolidines.

1-Pyrrolidinecarboxaldehyde Basic Attributes

Molecular Weight：

99.13110

Exact Mass：

99.13

EC Number：

223-175-7

UNII：

LO74GWE7WD

NSC Number：

42516

DSSTox ID：

DTXSID40191042

HScode：

2933990090

Characteristics

PSA：

20.31000

XLogP3：

0.81240

Appearance：

clear slightly yellow liquid

Density：

1.0409 g/cm³ @ Temp: 20 °C

Boiling Point：

92-94 °C

Flash Point：

203 °F

Refractive Index：

n20/D 1.479(lit.)

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S23-S24/25

Precautionary statement(s)：

S23-S24/25

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

prolinal

Analysis Methods

Name	Column Shape	Active Phase(℃)	Retention index	Temperature Control	Method	Comments	Reference
Normal alkane RI, polar column, temperature ramp	Capillary	Carbowax 20M	1691.		temperature ramp	2. K/min; Column length: 25. m; Column diameter: 0.32 mm; T_start: 70. C; T_end: 180. C	Tressl, R.Rewicki, D.Helak, B.Kamperschröer, H.Formation of pyrrolidines and piperidines on heating L-proline with reducing sugarsJ. Agric. Food Chem.1985, 33, 5, 924-928.

Computed Properties

Molecular Weight:99.13
XLogP3:-0.3
Hydrogen Bond Acceptor Count:1
Exact Mass:99.068413911
Monoisotopic Mass:99.068413911
Topological Polar Surface Area:20.3
Heavy Atom Count:7
Complexity:66.5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Synthesis Route

201230-82-2

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CAS No.: 3760-54-1

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Guide of 1-Pyrrolidinecarboxaldehyde

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Analysis Methods
Computed Properties
Synthesis Route
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1-Pyrrolidinecarboxaldehyde

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