2-(Boc-amino)-4-(hydroxymethyl)pyridine

HCID 23151001CAS 304873-62-9

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Basic information

Standard SMILES: CC(C)(C)OC(=O)Nc1cc(CO)ccn1
InChIKey: WWIMVFCGNYLUMJ-UHFFFAOYSA-N
Molecular formula: C11H16N2O3
Average molar mass: 224.26 g/mol
Monoisotopic mass: 224.11609237

Names & identifiers

Preferred name: 2-(Boc-amino)-4-(hydroxymethyl)pyridine
IUPAC: tert-butyl N-[4-(hydroxymethyl)-2-pyridinyl]carbamate
English name: 2-Boc-amino-4-hydroxymethylpyridine
Molecular formula: C11H16N2O3
Molecular weight: 224.26

Names & synonyms

2-(Boc-amino)-4-(hydroxymethyl)pyridineRefChem:459884890-467-4304873-62-9tert-butyl (4-(hydroxymethyl)pyridin-2-yl)carbamatetert-butyl N-[4-(hydroxymethyl)pyridin-2-yl]carbamateMFCD087046062-Boc-amino-4-hydroxymethylpyridineCarbamic acid, N-[4-(hydroxymethyl)-2-pyridinyl]-, 1,1-dimethylethyl estertert-butyl [4-(hydroxymethyl)pyridin-2-yl]carbamateTERT-BUTYL 4-(HYDROXYMETHYL)PYRIDIN-2-YLCARBAMATECarbamic acid, [4-(hydroxymethyl)-2-pyridinyl]-, 1,1-dimethylethyl ester

Show more names

(4-Hydroxymethyl-pyridin-2-yl)-carbamic acid tert-butyl ester[4-(Hydroxymethyl)-2-pyridinyl]carbamic acid 1,1-dimethylethyl ester

SCHEMBL1940483SCHEMBL29575346DTXSID00631035WWIMVFCGNYLUMJ-UHFFFAOYSA-N2-(Boc-amino)-4-pyridinemethanolAKOS015892049SB36487AS-31822

Database identifiers

CAS: 304873-62-9
PubChem CID: 23151001
DTXSID: DTXSID00631035
EC Number: 890-467-4

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 71.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 16
Formal charge: 0
Complexity: 238

Physicochemical properties

Melting point: 137 · 137-138 °C
Boiling point: 333.4 · 333.4±32.0 °C(Predicted)
Density: 1.209 · 1.209±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 12.4 · 12.40±0.70(Predicted)
Appearance: White to off-white Solid
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H320-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.