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N-Benzyloxycarbonyl-(isopropoxymethyl)amine

N-Benzyloxycarbonyl-(isopropoxymethyl)amine - CAS 1122410-32-5

Catalog:	BB002904
Product Name:	N-Benzyloxycarbonyl-(isopropoxymethyl)amine
CAS:	1122410-32-5
Synonyms:	benzyl N-(propan-2-yloxymethyl)carbamate

Technical Data

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Computed Properties

IUPAC Name:	benzyl N-(propan-2-yloxymethyl)carbamate
Description:	N-Benzyloxycarbonyl-(isopropoxymethyl)amine (CAS# 1122410-32-5 ) is a useful research chemical.
Molecular Weight:	223.27
Molecular Formula:	C12H17NO3
Canonical SMILES:	CC(C)OCNC(=O)OCC1=CC=CC=C1
InChI:	InChI=1S/C12H17NO3/c1-10(2)16-9-13-12(14)15-8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
InChI Key:	NJNHLPYLCKMUMH-UHFFFAOYSA-N
Storage:	Sealed in dry, 2-8 °C
MDL:	MFCD11506676
LogP:	2.49970

Publication Number	Title	Priority Date
EP-3119752-B1	3,4-diamino-6-chloropyrazine-2-carboxamide compounds for the treatment of enac mediated diseases	20140318
US-10336725-B2	Chemical compounds	20140318
US-2017107195-A1	Chemical Compounds	20140318
US-2018162838-A1	Chemical Compounds	20140318
US-2019330187-A1	Chemical Compounds	20140318

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, 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:	223.1208434
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	223.1208434
Rotatable Bond Count:	6
Topological Polar Surface Area:	47.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2