CAS 42088-91-5 1-(Pyridin-2-yl)ethan-1-amine (HCID 541877)

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Basic information

CAS: 42088-91-5
Standard SMILES: CC(N)c1ccccn1
InChIKey: PDNHLCRMUIGNBV-UHFFFAOYSA-N
Molecular formula: C7H10N2
Average molar mass: 122.17 g/mol
Monoisotopic mass: 122.08439832

Names & identifiers

Preferred name: 1-(Pyridin-2-yl)ethan-1-amine
IUPAC: 1-pyridin-2-ylethanamine
English name: 1-PYRIDIN-2-YL-ETHYLAMINE
Molecular formula: C7H10N2
Molecular weight: 122.17

Names & synonyms

1-(pyridin-2-yl)ethan-1-amineRefChem:428522640-812-842088-91-51-Pyridin-2-yl-ethylamine1-(2-Pyridyl)ethylamine1-(pyridin-2-yl)ethanamine1-pyridin-2-ylethanamine2-(1-Aminoethyl)pyridine1-(2-PYRIDINYL)ETHYLAMINE1-(2-Pyridinyl)ethanamine(1-pyridin-2-ylethyl)amine

Show more names

2-Pyridinemethanamine, α-methyl-Pyridine-2-Ethyl AMine1-(2-Pyridyl)ethaneamineα-Methyl-2-pyridinemethanamine

MFCD05215238(1-pyridin-2-yl)ethylamine2-(1-Aminoethyl)pyridine, 97%1-(2-PYRIDYL)-1-ETHANAMINE1-(2-pyridyl)ethanamine1-(Pyridin-2-yl)ethylamine1-PYRIDINE-2-YL-ETHYLAMINE2-Pyridinemethanamine, .alpha.-methyl-

Database identifiers

CAS: 42088-91-5
PubChem CID: 541877
DTXSID: DTXSID90962269
EC Number: 640-812-8
Nikkaji: J101.103K

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 38.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 83

Physicochemical properties

Boiling point: 197 · 197-201 °C
Density: 1.002 g/mL · 1.002 g/mL at 25 °C
refractive index: 20 · n20/D1.528
Flash point: 78 ℃ · 78℃
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2–8 °C
form: liquid
pka: 9.05 · 9.05±0.39(Predicted)
color: Colourless to light brown
Sensitive: Air Sensitive
InChI: InChI=1S/C7H10N2/c1-6(8)7-4-2-3-5-9-7/h2-6H,8H2,1H3
InChIKey: PDNHLCRMUIGNBV-UHFFFAOYSA-N
SMILES: NC(C1=NC=CC=C1)C
CAS DataBase Reference: 42088 · 42088-91-5(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05,GHS06

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (89.4%): Toxic if swallowed [Danger Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 3 (89.4%)

Safety data

wgk: nwg
ridadr: UN2735
hs_code: 2933399990
risk_code: 25-37/38-41
Signal word: Danger
Symbol(GHS): GHS05,GHS06
hazard_code: T,Xi
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
packing_group: III
target organs: Respiratory system
Hazard statements: H301-H315-H318-H335
Limited Quantities: 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)