CAS 121492-06-6|N-Boc-(2-Aminoethyl)-N-methylamine|tert-butyl N-(2-aminoethyl)-N-methylcarbamate|tert-butyl N-(2-aminoethyl)-N-methylcarbamate|N-Boc-N-甲基乙二胺|N-(2-氨基乙基)-N-甲基氨基甲酸叔丁酯|...

General Information

Structure

Molecular Formula

C₈H₁₈N₂O₂

Molecular Mass

174.24072

Exact Mass

174.13682783

Charge

InChI

InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10(4)6-5-9/h5-6,9H2,1-4H3

InChIKey

QYJVBVKFXDHFPQ-UHFFFAOYSA-N

Canonic Smiles

NCCN(C(=O)OC(C)(C)C)C

Isomeric Smiles

N(C)(CCN)C(=O)OC(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

-2.6465015

LogD (pH = 7.4)

-1.4451706

Log P

0.2933308

Molar Refractivity

47.6383

Polarizability

18.901976

Polar Surface Area

55.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

N-Boc-(2-Aminoethyl)-N-methylaminetert-Butyl N-(2-aminoethyl)-N-methylcarbamateN-Boc-N-甲基乙二胺N-(2-氨基乙基)-N-甲基氨基甲酸叔丁酯N-Boc-N-methylethylenediaminetert-butyl N-(2-aminoethyl)-N-methylcarbamateN-(2-Aminoethyl)-N-methyl-N-(tert-butoxycarbonyl)amine2-Methylpropan-2-yl N-(2-Aminoethyl)-N-methylcarbamatetert-Butyl N-(2-aminoethyl)-N-(methyl)carbamatetert-Butyl N-Methyl-N-(2-aminoethyl)carbamateN-Boc-N-methylethylenediamineN-(2-Aminoethyl)-N-methylcarbamic Acid tert-Butyl EsterN-(2-Aminoethyl)-N-methyl-carbamic Acid 1,1-Dimethylethyl Ester2-Aminoethyl(methyl)carbamic Acid tert-Butyl Estertert-Butyl 2-aminoethyl(methyl)carbamatetert-butyl (2-aminoethyl)methylcarbamate

IUPAC name

tert-butyl N-(2-aminoethyl)-N-methylcarbamate

IUPAC Traditional name

tert-butyl N-(2-aminoethyl)-N-methylcarbamate

Names and Identifiers

Registration numbers

CAS Number

121492-06-6

MDL Number

MFCD01317789

PubChem SID

16203226624849556