N-Boc-3-(methylamino)propanal - CAS 273757-11-2

Catalog:	BB019554
Product Name:	N-Boc-3-(methylamino)propanal
CAS:	273757-11-2
Synonyms:	N-methyl-N-(3-oxopropyl)carbamic acid tert-butyl ester; tert-butyl N-methyl-N-(3-oxopropyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N-methyl-N-(3-oxopropyl)carbamate
Description:	N-Boc-3-(methylamino)propanal (CAS# 273757-11-2) is a useful research chemical.
Molecular Weight:	187.24
Molecular Formula:	C9H17NO3
Canonical SMILES:	CC(C)(C)OC(=O)N(C)CCC=O
InChI:	InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10(4)6-5-7-11/h7H,5-6H2,1-4H3
InChI Key:	JBAKABOTZNERRZ-UHFFFAOYSA-N
LogP:	1.44230

Publication Number	Title	Priority Date
US-2021269434-A1	Tricyclic compounds as inhibitors of kras	20200110
WO-2021086785-A1	Bifunctional compounds	20191028
US-2021094933-A1	Rapafucin derivative compounds and methods of use thereof	20191001
WO-2021067439-A1	Rapafucin derivative compounds and methods of use thereof	20191001
WO-2021053158-A1	Novel histone methyltransferase inhibitors	20190918

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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]; H319 (100%): Causes serious eye irritation [Warning 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+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	184
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	187.1208434
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	187.1208434
Rotatable Bond Count:	5
Topological Polar Surface Area:	46.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5