Biotinamidocaproyl hydrazide

C₁₆H₂₉N₅O₃SCAS 109276-34-8371.50 g/mol

Open in Covalent MOL file

Hydrazone Primary amine Sulfide

Properties

Molecular formula: C₁₆H₂₉N₅O₃S
Molar mass: 371.50 g/mol
Exact mass: 371.1991 Da
logP: 2.26Crippen estimate
Polar surface area: 135.8 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 11
Stereocentres: S, R, Sin SMILES atom order

Hazards

Warning

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

Aggregated from the 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

109276-34-8

SMILES

NN=C(O)CCCCCN=C(O)CCCC[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21

InChIKey

IJJWOSAXNHWBPR-HUBLWGQQSA-N

InChI

InChI=1S/C16H29N5O3S/c17-21-14(23)8-2-1-5-9-18-13(22)7-4-3-6-12-15-11(10-25-12)19-16(24)20-15/h11-12,15H,1-10,17H2,(H,18,22)(H,21,23)(H2,19,20,24)/t11-,12-,15-/m0/s1

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

Names and synonyms

4 names

Hexanoic acid, 6-[[5-[(3aS,4S,6aR)-hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl]-1-oxopentyl]amino]-, hydrazide
Hexanoic acid, 6-[[5-(hexahydro-2-oxo-1H-thieno[3,4-d]imidazol-4-yl)-1-oxopentyl]amino]-, hydrazide, [3aS-(3aα,4β,6aα)]-
BACH
EZ-Link Biotin-LC-hydrazide

Work with Biotinamidocaproyl hydrazide

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

Biotin hydrazide66640-86-685 % similar 6-[[5-[(3As,4S,6ar)-hexahydro-2-oxo-1H-thieno[3,4-D]imidazol-4-yl]-1-oxopentyl]amino]hexanoic acid72040-64-376 % similar Biocytin576-19-271 % similar (3As,4S,6ar)-N-[2-(2-aminoethoxy)ethyl]hexahydro-2-oxo-1H-thieno[3,4-D]imidazole-4-pentanamide811442-85-067 % similar Nhs-lc-biotin72040-63-267 % similar Biotin peg2 amine138529-46-166 % similar Biotin22879-79-457 % similar Biotin58-85-557 % similar

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

Elsewhere

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