tert-Butyl (3-aminopropyl)carbamate

C8H18N2O2CAS 75178-96-0174.24 g/mol

Open in Covalent MOL file
OONHNH2
Primary amine

Properties

Molecular formula
C8H18N2O2
Molar mass
174.24 g/mol
Exact mass
174.1368 Da
Melting point
106–108 °C
logP
1.06Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 55 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P363, P405, P501

Identifiers

CAS number
75178-96-0
SMILES
CC(C)(C)OC(O)=NCCCN
InChIKey
POHWAQLZBIMPRN-UHFFFAOYSA-N
InChI
InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all
  • Carbamic acid, N-(3-aminopropyl)-, 1,1-dimethylethyl ester
  • Carbamic acid, (3-aminopropyl)-, 1,1-dimethylethyl ester
  • N-(tert-Butoxycarbonyl)-1,3-propanediamine
  • N-(tert-Butyloxycarbonyl)-1,3-propanediamine
  • 3-[(tert-Butoxycarbonyl)amino]-1-propylamine
  • N-tert-Butoxycarbonyl-1,3-diaminopropane
  • 1-[(tert-Butoxycarbonyl)amino]-3-aminopropane
  • tert-Butyl N-(3-aminopropyl)carbamate
  • 3-(tert-Butoxycarbonylamino)propylamine
  • N-BOC-1,3-diaminopropane
  • 3-[N-tert-Butoxycarbonylamino]propylamine
  • 1-[(tert-Butoxycarbonyl)amino]-3-propylamine
  • N-(3-Aminopropyl)carbamic acid tert-butyl ester
  • 3-Aminopropylcarbamic acid tert-butyl ester
  • 3-Aminopropylcarbamic acid 1,1-dimethylethyl ester
  • N-BOC-1,3-propanediamine
  • 1,1-Dimethylethyl (3-aminopropyl)carbamate
  • (3-Aminopropyl)-carbamic acid tert-butyl ester
  • 2-Methylpropan-2-yl (3-aminopropyl)carbamate
  • N-Boc-1,3-propylenediamine
  • Boc-1,3-diaminopropane

Work with tert-Butyl (3-aminopropyl)carbamate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

N-Boc-1,3-diaminopropane hydrochloride127346-48-9Salt

Similar compounds

N-(tert-Butoxycarbonyl)-1,5-diaminopentane51644-96-387 % similar N-Boc-1,6-diaminohexane51857-17-187 % similar N-Boc-ethylenediamine57260-73-880 % similar tert-Butyl (6-aminohexyl)carbamate monohydrochloride65915-94-879 % similar 1,1-Dimethylethyl 13-amino-5,8,11-trioxa-2-azatridecanoate101187-40-067 % similar 1,1-Dimethylethyl N-(5-hydroxypentyl)carbamate75178-90-463 % similar 6-[(tert-Butoxycarbonyl)amino]hexanoic acid6404-29-156 % similar Boc-β-alanine3303-84-254 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N-Boc-N-methylethylenediamine121492-06-6 N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-1 1,4-Piperazinediethanol122-96-3 1-[2-(2-Hydroxyethoxy)ethyl]piperazine13349-82-1 tert-Butyl N-[(2S)-1-aminopropan-2-yl]carbamate146552-71-8 1,1-Dimethylethyl 2-(1-methylethyl)hydrazinecarboxylate16689-35-3

Elsewhere

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