2-(1H-Pyrrol-1-yl)ethanamine - CAS 29709-35-1

Catalog:	BB020288
Product Name:	2-(1H-Pyrrol-1-yl)ethanamine
CAS:	29709-35-1
Synonyms:	2-pyrrol-1-ylethanamine

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Computed Properties

IUPAC Name:	2-pyrrol-1-ylethanamine
Description:	2-(1H-Pyrrol-1-yl)ethanamine (CAS# 29709-35-1) is a useful research chemical.
Molecular Weight:	110.16
Molecular Formula:	C6H10N2
Canonical SMILES:	C1=CN(C=C1)CCN
InChI:	InChI=1S/C6H10N2/c7-3-6-8-4-1-2-5-8/h1-2,4-5H,3,6-7H2
InChI Key:	HPDIRFBJYSOVKW-UHFFFAOYSA-N
Boiling Point:	192.9 °C at 760 mmHg
Purity:	95 %
Density:	1.02 g/cm³
Appearance:	Liquid
MDL:	MFCD00958089
LogP:	1.14710

Publication Number	Title	Priority Date
CN-111744465-A	Adsorbing material of pyrrole copolymer grafted porous graphene and preparation method thereof	20200806
CN-111848963-A	Preparation method of flame-retardant resin capable of being repeatedly processed and thermally cured at high temperature	20200714
WO-2021119475-A1	Cystine diamide analogs for cystinuria	20191213
CN-110590708-A	Aroyl piperazine compound, preparation method thereof and application thereof in antivirus	20190924
CN-110590708-B	Aroyl piperazine compound, preparation method thereof and application thereof in antivirus	20190924

PMID	Publication Date	Title	Journal
12423155	20021115	Novel routes to 1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazines and 5,6,9,10,11,11a-hexahydro-8H-pyrido[1,2-a]pyrrolo[2,1-c]pyrazines	The Journal of organic chemistry

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	57.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.084398327
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.084398327
Rotatable Bond Count:	2
Topological Polar Surface Area:	31 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3