N-Benzylglycine ethyl ester (HCID 80908)

Names & identifiers

Preferred name: N-Benzylglycine ethyl ester
IUPAC: ethyl 2-(benzylamino)acetate
English name: N-Benzylglycine ethyl ester
Molecular formula: C11H15NO2
Molecular weight: 193.24

Names & synonyms

N-Benzylglycine ethyl ester6436-90-4Ethyl N-(phenylmethyl)glycinateDTXSID90214578RefChem:1091619DTXCID20137069229-218-6ethyl 2-(benzylamino)acetateEthyl (benzylamino)acetateBzl-Gly-OEtGlycine, N-(phenylmethyl)-, ethyl estern-benzyl glycine ethyl ester

Show more names

AKOS 229C11H15NO2N-BZL-GLY-OETN-Bzl-Gly-Oet-OHTIMTEC-BB SBB003613Ethyl N-benzylglycine

MFCD00009174Ethyl N-benzylglycinateEthyl benzylaminoacetatebenzylamino-acetic acid ethyl esterethyl 2-[benzylamino]acetateethyl benzylglycinateN-Benzyl-glycine ethyl estern-(phenylmethyl)glycine ethyl ester

Database identifiers

CAS: 6436-90-4
PubChem CID: 80908
DTXSID: DTXSID90214578
UNII: F78Q9SH2Z3
EC Number: 229-218-6
Nikkaji: J62.853K

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 38.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 14
Formal charge: 0
Complexity: 165

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Aromatics (Nitrogen)

SpringerMaterials PropertiesOptical coefficient

Physical DescriptionColorless or yellow liquid; [Alfa Aesar MSDS]

Physicochemical properties

Boiling point: 140 · 140-142 °C/10 mmHg (lit.)
Density: 1.031 g/mL · 1.031 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.506(lit.)
Flash point: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
form: Liquid
pka: 6.84 · 6.84±0.20(Predicted)
color: Clear colorless to light yellow
Water Solubility: Not miscible or difficult to mix in water.
BRN: 2104816 · 2104816
InChI: InChI=1S/C11H15NO2/c1-2-14-11(13)9-12-8-10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChIKey: ULOLIZHBYWAICY-UHFFFAOYSA-N
SMILES: C(OCC)(=O)CNCC1=CC=CC=C1
CAS DataBase Reference: 6436 · 6436-90-4(CAS DataBase Reference)
NIST Chemistry Reference: N-Benzylglycine ethyl ester(6436-90-4)
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314
Precautionary statements: 260 · P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Hazard Codes: C,Xi,Xn
Risk Statements: 34 · 34-36/37/38-20/21/22
Safety Statements: 23 · 23-24/25-45-36/37/39-26-36
RIDADR: 2735 · UN2735
WGK Germany: 3 · 3
HS Code: 29224999 · 29224999

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

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

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 4 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazards SummaryMay cause irritation; [Alfa Aesar MSDS]

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

Safety data

wgk: 3
ridadr: UN2735
hs_code: 29224999
risk_code: 34-36/37/38-20/21/22
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: C,Xi,Xn
safety_code: 23-24/25-45-36/37/39-26-36
Hazard statements: H314
Precautionary statements: P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Chemistry & industry

Applications

UsesN-Benzylglycine ethyl ester is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff field.

Upstream & downstream products

Upstream raw materials

Downstream products

1-Methylpiperazin-2-one (S)-4-(Phenylmethyl)-2-piperazineethanol N-Benzylglycine methyl 2-(benzylamino)acetate tert-butyl benzyl(2-oxoethyl)carbamate 7-Benzyl-5,6,7,8-tetrahydro4-chloro-pyrido[3,4-d]pyrimidine hydrochloride Glycine, N-ethyl-N-(phenylmethyl)-, ethyl ester Cyclopenta[b]pyrrole-2-carboxylic acid, 1,4,5,6-tetrahydro-1-(phenylmethyl)-, ethyl ester (R)-N4-Benzyl-2-(benzyloxymethyl)piperazine

Suppliers50 total

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

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

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

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

科瑞迪化学400-821-5857 021-64326257 · [email protected]

Related reactions

100 records

New reaction record

HRID 12063As reactantuspto-grants-2010_06

HRID 18815As productuspto-grants-2010_06

HRID 38274As reactantuspto-grants-2013_09

HRID 100820As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 123906As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 126525As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 147947As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 168690As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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Basic information