tert-Butyl N-(4-hydroxybutyl)carbamate

C9H19NO3CAS 75178-87-9189.25 g/mol

Open in Covalent MOL file
OONHOH
AlcoholCarbamate

Properties

Molecular formula
C9H19NO3
Molar mass
189.25 g/mol
Exact mass
189.1365 Da
logP
1.28Crippen estimate
Polar surface area
58.6 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

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
75178-87-9
SMILES
CC(C)(C)OC(=O)NCCCCO
InChIKey
LIYMTLVBAVHPBU-UHFFFAOYSA-N
InChI
InChI=1S/C9H19NO3/c1-9(2,3)13-8(12)10-6-4-5-7-11/h11H,4-7H2,1-3H3,(H,10,12)

Weigh it out

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Names and synonyms

1 names
  • 4-(tert-Butoxycarbonylamino)-1-butanol

Work with tert-Butyl N-(4-hydroxybutyl)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

Similar compounds

tert-Butyl N-(6-hydroxyhexyl)carbamate75937-12-197 % similar 3-(Boc-amino)-1-propanol58885-58-890 % similar tert-Butyl N-(2-hydroxyethyl)carbamate26690-80-277 % similar 2-(2-Boc-aminoethoxy)ethanol139115-91-667 % similar 4-(Boc-amino)butyl bromide164365-88-266 % similar tert-Butyl N-(4-aminobutyl)carbamate68076-36-866 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-265 % similar tert-Butyl N-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate1404111-67-665 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Amino-peg1-T-butyl ester1260092-46-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook