3-(Boc-amino)-1-propanol

C₈H₁₇NO₃CAS 58885-58-8175.23 g/mol

Open in Covalent MOL file

Alcohol Carbamate

Properties

Molecular formula: C₈H₁₇NO₃
Molar mass: 175.23 g/mol
Exact mass: 175.1208 Da
logP: 0.89Crippen estimate
Polar surface area: 58.6 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

Weigh it out

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

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 (2S,3R)-2-Amino-3-(tert-butoxy)butanoic acid4378-13-6 (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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