N-Boc-3-iodo-1-propylamine - CAS 167479-01-8

Catalog:	BB012397
Product Name:	N-Boc-3-iodo-1-propylamine
CAS:	167479-01-8
Synonyms:	N-(3-iodopropyl)carbamic acid tert-butyl ester; tert-butyl N-(3-iodopropyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-(3-iodopropyl)carbamate
Description:	N-Boc-3-iodo-1-propylamine (CAS# 167479-01-8) is used in preparation of isoindolin-2-one-linked quinazoline and pyridopyrimidine as Ras protein degraders and anticancer agents.
Molecular Weight:	285.12
Molecular Formula:	C8H16INO2
Canonical SMILES:	CC(C)(C)OC(=O)NCCCI
InChI:	InChI=1S/C8H16INO2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6H2,1-3H3,(H,10,11)
InChI Key:	ORVXNBKOWDNMGB-UHFFFAOYSA-N
LogP:	2.72710

Publication Number	Title	Priority Date
WO-2021051034-A1	Ras protein degraders, pharmaceutical compositions thereof, and their therapeutic applications	20190913
WO-2020151682-A1	Macrocyclic immunomodulator	20190123
WO-2020127194-A1	Anticancer compounds	20181217
EP-3898613-A1	Anticancer compounds	20181217
KR-20210104791-A	anticancer compound	20181217

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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:	143
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	285.02258
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	285.02258
Rotatable Bond Count:	5
Topological Polar Surface Area:	38.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4