N-Boc-N-methylmethanamine - CAS 7541-17-5

Catalog:	BB035312
Product Name:	N-Boc-N-methylmethanamine
CAS:	7541-17-5
Synonyms:	N,N-dimethylcarbamic acid tert-butyl ester; tert-butyl N,N-dimethylcarbamate

Technical Data

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Computed Properties

IUPAC Name:	tert-butyl N,N-dimethylcarbamate
Description:	N-Boc-N-methylmethanamine (CAS# 7541-17-5) is a useful research chemical.
Molecular Weight:	145.20
Molecular Formula:	C7H15NO2
Canonical SMILES:	CC(C)(C)OC(=O)N(C)C
InChI:	InChI=1S/C7H15NO2/c1-7(2,3)10-6(9)8(4)5/h1-5H3
InChI Key:	RJSZFSOFYVMDIC-UHFFFAOYSA-N
Boiling Point:	162.2 °C at 760 mmHg
Density:	0.937 g/cm³
Appearance:	Liquid
LogP:	1.48310

Publication Number	Title	Priority Date
WO-2020221816-A1	Novel phenyl and pyridyl ureas active against the hepatitis b virus (hbv)	20190430
US-2020172539-A1	Azalactam Compounds as HPK1 Inhibitors	20181115
US-2020399268-A1	Pharmaceutical 6,5 Heterobicyclic Ring Derivatives	20180216
US-2019248777-A1	Isoxazole derivatives as fxr agonists and methods of use thereof	20180214
US-10829486-B2	Isoxazole derivatives as FXR agonists and methods of use thereof	20180214

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P391, P405, and P501
Signal Word:	Danger

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	145.110278721
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	145.110278721
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1