N-Ethylbenzylamine (HCID 84352)

Names & identifiers

Preferred name: N-Ethylbenzylamine
IUPAC: N-benzylethanamine
English name: N-Ethylbenzylamine
Molecular formula: C9H13N
Molecular weight: 135.21

Names & synonyms

N-EthylbenzylamineN-benzylethanamineN-BenzylethylamineBenzenemethanamine, N-ethyl-EthylbenzylamineBenzylamine, N-ethyl-BenzylethylamineN-ethyl-N-benzylamineN-Benzyl-N-ethylamineethyl(phenylmethyl)aminen-ethylbenzenemethanamineBENZYL-ETHYL-AMINE

Show more names

NEBAEtilefrine Impurity FN-Ethylbenzylamine>

EINECS 238-265-1UNII-MM8324KE8VMM8324KE8V5417-36-7DTXSID7022259N-(PHENYLMETHYL)ETHYLAMINERefChem:163337DTXCID702259

Database identifiers

CAS: 14321-27-8
PubChem CID: 84352
DTXSID: DTXSID7022259
ChEMBL: CHEMBL1178178
UNII: MM8324KE8V
EC Number: 238-265-1
Nikkaji: J270D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 10
Formal charge: 0
Complexity: 74.8

Experimental & physicochemical properties

SpringerMaterials PropertiesDielectric constant

LogP1.82

Physicochemical properties

Melting point: 191 · 191-194
Boiling point: 191 · 191-194 °C (lit.)
Density: 0.909 g/mL · 0.909 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.511(lit.)
Flash point: 152 °F · 152 °F
storage temp.: 2 · Keep in dark place,Sealed in dry,2-8°C
solubility: slightly soluble
form: Liquid
pka: 9.77 · 9.77±0.10(Predicted)
color: Clear colorless to slightly yellow
Water Solubility: slightly soluble
Sensitive: Air Sensitive
BRN: 386023 · 386023
Dielectric constant: 4.3 · 4.3(20℃)
InChI: 1S/C9H13N/c1-2-10-8-9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3
InChIKey: HVAAHUDGWQAAOJ-UHFFFAOYSA-N
SMILES: CCNCc1ccccc1
LogP: 1.82 · 1.82
CAS DataBase Reference: 14321 · 14321-27-8(CAS DataBase Reference)
FDA UNII: 8324 KE8V · MM8324KE8V
NIST Chemistry Reference: Benzenemethanamine, N-ethyl-(14321-27-8)
EPA Substance Registry System: N-Ethylbenzylamine (14321-27-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 280 · P280-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 34 · 34-37-52
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2735 · UN 2735 8/PG 3
WGK Germany: 3 · 3
Hazard Note: Corrosive/Air Sensitive
TSCA: TSCA listed
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29214980 · 29214980
Storage Class: 8 A · 8A - Combustible corrosive hazardous materials
Hazard Classifications: 1 Skin · Eye Dam. 1Skin Corr. 1B
REACH Registrations: Active
Limited Quantities: 5 L · 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)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 51 reports by companies from 6 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationStatus: Active Update: 14-11-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21062

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2735 8/PG 3
hs_code: 29214980
risk_code: 34-37-52
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C
hazard_note: Corrosive/Air Sensitive
safety_code: 26-36/37/39-45
hazard_class: 8
Storage Class: 8A - Combustible corrosive hazardous materials
packing_group: III
Hazard statements: H314
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)
REACH Registrations: Active
Hazard Classifications: Eye Dam. 1Skin Corr. 1B
Precautionary statements: P280-P301+P330+P331-P303+P361+P353-P305+P351+P338+P310

Chemistry & industry

Uses & manufacturing

General Manufacturing InformationBenzenemethanamine, N-ethyl-: ACTIVE

Applications · 1 item

UsesN-Ethylbenzylamine has been used to demonstrate the reactivity of NDTE (2,5-dihydroxyphenylacetic acid, 2,5-bis-tetrahydropyranyl ether p-nitrophenyl ester) and HLTE (homogentisic gamma-lactone tetrahydropyranyl ether). It has also been used to prepare 2-[(N-Benzyl, N-ethyl)amino]derivative using 2-chloro-4H-pyrido[1,2-a]pyrimidin-4-one.

Upstream & downstream products

Upstream raw materials

Downstream products

N-Isopropylbenzylamine

Suppliers50 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

郑州阿尔法化工有限公司+86-18530059196 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hong Kong Tiansheng New Material Trading Co., Ltd+8617320695765 · [email protected]

河北创海生物科技有限公司+86-86-13131129325 · [email protected]

Related reactions

96 records

New reaction record

HRID 14685As reactantuspto-grants-2010_06

HRID 38696As reactantuspto-grants-2013_09

HRID 102726As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 123018As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 136895As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 150895As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 163066As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 165522As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Basic information