1-Boc-3-iodopyrrolidine - CAS 774234-25-2

Catalog:	BB035938
Product Name:	1-Boc-3-iodopyrrolidine
CAS:	774234-25-2
Synonyms:	3-iodo-1-pyrrolidinecarboxylic acid tert-butyl ester; tert-butyl 3-iodopyrrolidine-1-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl 3-iodopyrrolidine-1-carboxylate
Description:	1-Boc-3-iodopyrrolidine (CAS# 774234-25-2) is a useful research chemical.
Molecular Weight:	297.13
Molecular Formula:	C9H16INO2
Canonical SMILES:	CC(C)(C)OC(=O)N1CCC(C1)I
InChI:	InChI=1S/C9H16INO2/c1-9(2,3)13-8(12)11-5-4-7(10)6-11/h7H,4-6H2,1-3H3
InChI Key:	CFTPTQLIAIOWLK-UHFFFAOYSA-N
MDL:	MFCD12031283
LogP:	2.36870

Publication Number	Title	Priority Date
CN-112824398-A	Immunomodulator	20191120
WO-2021098844-A1	Immunomodulator	20191120
WO-2021080929-A1	N-(heteroaryl) quinazolin-2-amine derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof	20191025
WO-2020014605-A1	Inhibitors of histone deacetylase	20180713
TW-202019903-A	Histone deacetylase bicyclic inhibitor	20180713

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	200
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	297.02258
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	297.02258
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2