2-(1-Pyrrolidinyl)benzaldehyde - CAS 58028-74-3

Catalog:	BB029907
Product Name:	2-(1-Pyrrolidinyl)benzaldehyde
CAS:	58028-74-3
Synonyms:	2-(1-pyrrolidinyl)benzaldehyde; 2-pyrrolidin-1-ylbenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	2-pyrrolidin-1-ylbenzaldehyde
Description:	2-(1-Pyrrolidinyl)benzaldehyde (CAS# 58028-74-3) is a useful research chemical.
Molecular Weight:	175.23
Molecular Formula:	C11H13NO
Canonical SMILES:	C1CCN(C1)C2=CC=CC=C2C=O
InChI:	InChI=1S/C11H13NO/c13-9-10-5-1-2-6-11(10)12-7-3-4-8-12/h1-2,5-6,9H,3-4,7-8H2
InChI Key:	QJHUKBIDTDKVSL-UHFFFAOYSA-N
Boiling Point:	307.4 °C at 760 mmHg
Density:	1.125 g/cm³
MDL:	MFCD03419322
LogP:	2.16430

Publication Number	Title	Priority Date
CN-111454233-A	4- (2- (pyrrolidine/piperidine-1-yl) benzyl) -piperazinylurea TRPV1 antagonist and preparation and application thereof	20200508
CN-110437236-A	A kind of indoles -1,2- and 1,4- benzodiazepine compounds and its synthetic method	20190828
CN-110437236-B	Indole-1, 2-and 1, 4-benzodiazepine compound and synthetic method thereof	20190828
CN-110256443-A	A kind of indole derivatives and preparation method thereof	20190725
CN-110256443-B	Indole derivative and preparation method thereof	20190725

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.099714038
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	175.099714038
Rotatable Bond Count:	2
Topological Polar Surface Area:	20.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2