chempirical

3-(Boc-amino)-1-propanol

C8H17NO3CAS 58885-58-8175.23 g/mol

Open in Covalent MOL file
OONHOH
AlcoholCarbamate

Properties

Molecular formula
C8H17NO3
Molar mass
175.23 g/mol
Exact mass
175.1208 Da
logP
0.89Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
58885-58-8
SMILES
CC(C)(C)OC(=O)NCCCO
InChIKey
XDJCYKMWJCYQJM-UHFFFAOYSA-N
InChI
InChI=1S/C8H17NO3/c1-8(2,3)12-7(11)9-5-4-6-10/h10H,4-6H2,1-3H3,(H,9,11)

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Names and synonyms

1 names
  • tert-Butyl N-(3-hydroxypropyl)carbamate

Work with 3-(Boc-amino)-1-propanol

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

Similar compounds

tert-Butyl N-(4-hydroxybutyl)carbamate75178-87-990 % similar tert-Butyl N-(6-hydroxyhexyl)carbamate75937-12-187 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-280 % similar 2-(2-Boc-aminoethoxy)ethanol139115-91-669 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-267 % similar tert-Butyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate1404111-67-667 % similar N-Boc-peg6-alcohol331242-61-667 % similar tert-Butyl N-(3-bromopropyl)carbamate83948-53-265 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl N-((2R)-1-hydroxypropan-2-yl)carbamate106391-86-0 N-Boc-(R)-1-amino-2-propanol119768-44-4 2-Ethylhexyl nitrate27247-96-7 O-(1,1-Dimethylethyl)-L-threonine4378-13-6 (2-Hydroxyethyl)methylcarbamic acid 1,1-dimethylethyl ester57561-39-4 1,1-Dimethylethyl N-[(1S)-2-hydroxy-1-methylethyl]carbamate79069-13-9

Elsewhere

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