Nsc65650

HCID 248485

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Basic information

CAS: 6950-99-8
Standard SMILES: OCCCNCc1ccccn1
InChIKey: UTTDICFUEAFWJV-UHFFFAOYSA-N
Molecular formula: C9H14N2O
Average molar mass: 166.22 g/mol
Monoisotopic mass: 166.11061307

Names & identifiers

Preferred name: Nsc65650
IUPAC: 3-(pyridin-2-ylmethylamino)propan-1-ol
English name: 3-(2-Pyridylmethylamino)-1-propanol
Molecular formula: C9H14N2O
Molecular weight: 166.22

Names & synonyms

6950-99-8NSC65650DTXSID202899313-(2-pyridylmethylamino)-1-propanolRefChem:854926DTXCID00241077636-212-03-((2-pyridinylmethyl)amino)-1-propanol3-((Pyridin-2-ylmethyl)amino)propan-1-ol3-(pyridin-2-ylmethylamino)propan-1-ol3-[(PYRIDIN-2-YLMETHYL)AMINO]PROPAN-1-OL3-[(2-pyridinylmethyl)amino]-1-propanol

Show more names

UKRORGSYN-BB BBV-1752811-Propanol, 3-[(2-pyridinylmethyl)amino]-

3-{[(pyridin-2-yl)methyl]amino}propan-1-olMFCD00023515NSC-65650hydroxypropylpicolylamineNCIStruc1_000135NCIStruc2_000139SCHEMBL1037051CHEMBL1741581

Database identifiers

CAS: 6950-99-8
PubChem CID: 248485
DTXSID: DTXSID20289931
ChEMBL: CHEMBL1741581
EC Number: 636-212-0

Properties

Computed structural properties

XLogP: -0.1
Topological polar surface area: 45.2 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 12
Formal charge: 0
Complexity: 109

Physicochemical properties

Boiling point: 301.3 · 301.3±27.0 °C(Predicted)
Density: 1.073 · 1.073±0.06 g/cm3(Predicted)
storage temp.: 0 · Store at 0-8 °C
pka: 15 · 15.00±0.10(Predicted)
Appearance: Yellow Liquid
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 302 · H302-H335-H315-H318
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS05
Hazard statements: H302-H335-H315-H318
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310