CAS 37806-29-4 2-Ethoxybenzylamine (HCID 123465)

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Basic information

CAS: 37806-29-4
Standard SMILES: CCOc1ccccc1CN
InChIKey: LAUPTNYHVCVPFH-UHFFFAOYSA-N
Molecular formula: C9H13NO
Average molar mass: 151.21 g/mol
Monoisotopic mass: 151.09971404

Names & identifiers

Preferred name: 2-Ethoxybenzylamine
IUPAC: (2-ethoxyphenyl)methanamine
English name: 2-Ethoxybenzylamine
Molecular formula: C9H13NO
Molecular weight: 151.21

Names & synonyms

2-Ethoxybenzylamine37806-29-4EINECS 253-672-4DTXSID80191248RefChem:471647DTXCID90113739253-672-4(2-Ethoxyphenyl)methanamine1-(2-ethoxyphenyl)methanamineo-EthoxybenzylamineMFCD00008111Benzenemethanamine, 2-ethoxy-

Show more names

AKOS BC-2638RARECHEM AL BW 01552-Ethoxybenzylamine 99%2-Ethoxyphenylmethylamine2-Ethoxybenzenemethanamine(2-Ethoxyphenyl)methanamine - [E88916]

(2-ethoxyphenyl)methylamineCHEMBL31144032-ethoxy-benzylamine2-ethoxybenzyl amine(2-ethoxybenzyl)amine2-ethoxy-benzyl-amine2-Ethoxybenzylamine, 99%Oprea1_568270

Database identifiers

CAS: 37806-29-4
PubChem CID: 123465
DTXSID: DTXSID80191248
ChEMBL: CHEMBL3114403、CHEMBL3139461
EC Number: 253-672-4
Nikkaji: J236.388G

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 11
Formal charge: 0
Complexity: 106

Physicochemical properties

Boiling point: 69 · 69-74 °C/0.2 mmHg (lit.)
Density: 1.015 g/mL · 1.015 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.533(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
form: clear liquid
color: Colorless to Light orange to Yellow
InChI: 1S/C9H13NO/c1-2-11-9-6-4-3-5-8(9)7-10/h3-6H,2,7,10H2,1H3
InChIKey: LAUPTNYHVCVPFH-UHFFFAOYSA-N
SMILES: CCOc1ccccc1CN
CAS DataBase Reference: 37806 · 37806-29-4(CAS DataBase Reference)
NIST Chemistry Reference: o-Ethoxybenzylamine(37806-29-4)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (95.1%): 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)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (95.1%)

Safety data

PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 2735 8/PG III
hs_code: 2922.29.8190
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 26-37/39
hazard_class: IRRITANT
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-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)