1-Boc-3-(cyanomethyl)pyrrolidine - CAS 142253-46-1

Name: 1-Boc-3-(cyanomethyl)pyrrolidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB009330
Product Name:	1-Boc-3-(cyanomethyl)pyrrolidine
CAS:	142253-46-1
Synonyms:	3-(cyanomethyl)-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	tert-butyl 3-(cyanomethyl)pyrrolidine-1-carboxylate
Description:	1-Boc-3-(cyanomethyl)pyrrolidine (CAS# 142253-46-1) is a useful research chemical.
Molecular Weight:	210.27
Molecular Formula:	C11H18N2O2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)CC#N
InChI:	InChI=1S/C11H18N2O2/c1-11(2,3)15-10(14)13-7-5-9(8-13)4-6-12/h9H,4-5,7-8H2,1-3H3
InChI Key:	IPLBXZOFLWOERN-UHFFFAOYSA-N
Boiling Point:	327.4 °C at 760 mmHg
Density:	1.062 g/cm³
Appearance:	Yellow crystal powder
LogP:	2.09498

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[937273-31-9]C12H14ClNO4
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1281984-38-0]C8H10N4O4
1-Cyclopentyl-3,5-dinitro-1H-pyrazole

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Complexity:	285
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	210.136827821
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	210.136827821
Rotatable Bond Count:	3
Topological Polar Surface Area:	53.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2