N-(pyridin-2-ylmethyl)ethanamine

HCID 4723804

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 51639-58-8
Standard SMILES: CCNCc1ccccn1
InChIKey: BQSUUGOCTJVJIF-UHFFFAOYSA-N
Molecular formula: C8H12N2
Average molar mass: 136.19 g/mol
Monoisotopic mass: 136.10004838

Names & identifiers

Preferred name: N-(pyridin-2-ylmethyl)ethanamine
IUPAC: N-(pyridin-2-ylmethyl)ethanamine
English name: CHEMBRDG-BB 9070750
Molecular formula: C8H12N2
Molecular weight: 136.19

Names & synonyms

51639-58-8N-(pyridin-2-ylmethyl)ethanamineDTXSID00406028RefChem:1091466DTXCID30356880N-Ethyl-N-(2-pyridylmethyl)amineN-(2-PYRIDINYLMETHYL)ETHANAMINEMFCD07411568ethyl(pyridin-2-ylmethyl)amine2-Pyridinemethanamine, N-ethyl-ethyl[(pyridin-2-yl)methyl]amineethyl-pyridin-2-ylmethyl-amine

Show more names

AKOS ISYA00851AKOS LT-1125X501CHEMBRDG-BB 9070750N-(Pyridin-2-ylmethyl)UKRORGSYN-BB BBV-040220N-ethyl-2-PyridineMethanaMine

STK511427SB52299CS-0151964EN300-102696_x000D_N-Ethyl-N-(2-pyridylmethyl)amineA21962N-Ethyl-2-pyridylmethylamineN-(2-Pyridinylmethyl)ethanam

Database identifiers

CAS: 51639-58-8
PubChem CID: 4723804
DTXSID: DTXSID00406028
EC Number: 172-465-9

Properties

Computed structural properties

XLogP: 0.7
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 83.3

Physicochemical properties

storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: solid
InChI: 1S/C8H12N2/c1-2-9-7-8-5-3-4-6-10-8/h3-6,9H,2,7H2,1H3
InChIKey: BQSUUGOCTJVJIF-UHFFFAOYSA-N
SMILES: CCNCC1=NC=CC=C1
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xn
Risk Statements: 22 · 22
WGK Germany: 3 · 3
HS Code: 2933399990 · 2933399990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
hs_code: 2933399990
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Suppliers43 total

上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]

上海腾准生物科技有限公司19821570922 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]

Related reactions

38 records

New reaction record

HRID 95658As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 178455As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 212171As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 214223As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 283068As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 293922As productTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 318229As reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

HRID 673904As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)

Compound notes

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