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C₂₁H₂₀N₄O₃CAS 209783-80-2376.42 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₂₁H₂₀N₄O₃
Molar mass: 376.42 g/mol
Exact mass: 376.1535 Da
Melting point: 159–160 °C
logP: 3.55Crippen estimate
Polar surface area: 109.8 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 6

Hazards

Danger

H301 Toxic if swallowed98.6% of notifiers
H315 Causes skin irritation98.6% of notifiers
H319 Causes serious eye irritation98.6% of notifiers
H335 May cause respiratory irritation97.3% of notifiers
H360 May damage fertility or the unborn child60.8% of notifiers
H360D May damage the unborn child37.8% of notifiers

Aggregated from 74 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

209783-80-2

SMILES

Nc1ccccc1NC(=O)c1ccc(CN=C(O)OCc2cccnc2)cc1

InChIKey

INVTYAOGFAGBOE-UHFFFAOYSA-N

InChI

InChI=1S/C21H20N4O3/c22-18-5-1-2-6-19(18)25-20(26)17-9-7-15(8-10-17)13-24-21(27)28-14-16-4-3-11-23-12-16/h1-12H,13-14,22H2,(H,24,27)(H,25,26)

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Names and synonyms

7 names

Carbamic acid, N-[[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]-, 3-pyridinylmethyl ester
Carbamic acid, [[4-[[(2-aminophenyl)amino]carbonyl]phenyl]methyl]-, 3-pyridinylmethyl ester
MS 275
MS 27-275
MS 275-27
SNDX 275
(Pyridin-3-yl)methyl 4-(2-aminophenylcarbamoyl)benzylcarbamate

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Similar compounds

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Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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