Basic information
- CAS
1115-59-9- Standard SMILES
CCOC(=O)C(C)N.Cl- InChIKey
JCXLZWMDXJFOOI-UHFFFAOYSA-N- Molecular formula
- C5H12ClNO2
- Average molar mass
- 153.61 g/mol
- Monoisotopic mass
- 153.0556563
Names & identifiers
- Preferred name
- Alanine, ethyl ester, hydrochloride (1:1)
- IUPAC
- ethyl 2-aminopropanoate;hydrochloride
- English name
- Ethyl L-alaninate hydrochloride
- Molecular formula
- C5H12ClNO2
- Molecular weight
- 153.61
Names & synonyms
617-27-6Ethyl alaninate hydrochlorideEthyl alaninate HClEthyl DL-alaninate hydrochlorideAlanine, ethyl ester, hydrochlorideAlanine, ethyl ester, hydrochloride (1:1)NSC 46032DTXSID40883470EINECS 214-225-9EINECS 210-507-0RefChem:553250DTXCID901023000
Show more names
L-ALANINE ETHYL ESTER HYDROCHLORIDECADR-013H-ALA-OET HCLL-Ala-OEt.HCLALANINE-OET HCLH-L-Ala-OEt*HClEthyl L-alaninate hyL-Alanine ethyl esteTenofovir Impurity 79
214-225-91115-59-9ethyl 2-aminopropanoate hydrochlorideH-DL-Ala-OEt.HClDL-Alanine ethyl ester hydrochlorideD,L-Alanine Ethyl Ester HydrochlorideMFCD00013018DL-Ethyl 2-aminopropanoate hydrochloride
Database identifiers
- CAS
1115-59-9、617-27-6、6331-09-5- PubChem CID
- 102560
- DTXSID
DTXSID40883470- EC Number
- 210-507-0、214-225-9
Properties
Computed structural properties
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 82.5
Physicochemical properties
- Melting point
- 78 · 78-80 °C (dec.)(lit.)
- alpha
- 3.1 · 3.1 º (c=2.5, H2O)
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- 100 g/l · 100g/l
- form
- Solid
- color
- White to Off-White
- optical activity
- 22 · [α]22/D +2.5°, c = 2.5 in H2O
- Sensitive
- Hygroscopic
- BRN
- 3594395 · 3594395
- Major Application
- peptide synthesis
- InChI
- InChI=1/C5H11NO2.ClH/c1-3-8-5(7)4(2)6;/h4H,3,6H2,1-2H3;1H/t4-;/s3
- InChIKey
- JCXLZWMDXJFOOI-NDILARRWNA-N
- SMILES
- C(=O)([C@@H](N)C)OCC.Cl |&1:2,r|
- CAS DataBase Reference
- 1115 · 1115-59-9(CAS DataBase Reference)
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 22 · NA.22
- Symbol(GHS)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 25% (1 of 4) of reports.
Warning
H315 (75%): 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 4 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
Hazard information
Regulatory InformationAlanine, ethyl ester, hydrochloride: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories
Skin Irrit. 2 (75%)
Skin Irrit. 2 (100%)
Safety data
- F
- 3-10
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29224995
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAlanine, ethyl ester, hydrochloride (1:1): INACTIVE
Applications
UsesL-Alanine Ethyl Ester Hydrochloride is used in the synthesis of nucleoside phosphoramidates as antiviral agents for human immunodeficiency and hepatitis B viruses. Also used in synthesis of enantiomerically pure amino acid ester isocyanates.
Upstream & downstream products
Upstream raw materials
Suppliers101 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
扬州旭达生物科技有限公司15161820588; 15161820588 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
Related reactions
17 records
Compound notes
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