Basic information
- CAS
79416-27-6- Standard SMILES
COC(=O)CCC(=O)CN.[Cl-].[H+]- InChIKey
UJYSYPVQHFNBML-UHFFFAOYSA-N- Molecular formula
- C6H12ClNO3
- Average molar mass
- 181.62 g/mol
- Monoisotopic mass
- 181.0505709
Overview
See also: Methyl Aminolevulinate Hydrochloride (preferred); Methyl Aminolevulinate (has active moiety).
Names & identifiers
- Preferred name
- Hydron;methyl 5-amino-4-oxopentanoate;chloride
- IUPAC
- hydron;methyl 5-amino-4-oxopentanoate;chloride
- English name
- 5-Aminolevulinic acid methyl ester hydrochloride
- Molecular formula
- C6H12ClNO3
- Molecular weight
- 181.62
Names & synonyms
METHYL 5-AMINOLEVULINATE HYDROCHLORIDEMethyl 5-amino-4-oxopentanoate hydrochloride5-ALA MELH-TIC(OTBU)-OH APTSMethyl Aminolevulinate HClMethyl 5-Aminolevulinate HClALA METHYL ESTER HYDROCHLORIDEAminolevulinic Acid Impurity 15-ALA methyl ester hydrochloride5-Aminolevulinic acid methyl este
Database identifiers
- CAS
79416-27-6- PubChem CID
- 657232
Properties
Computed structural properties
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 133
Physicochemical properties
- Melting point
- 119 · 119-121°
- storage temp.
- 2 · 2-8°C
- solubility
- DMSO (Slightly), Methanol (Slightly), Water (Slightly)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- very faint turbidity
- Sensitive
- Light Sensitive/Hygroscopic
- Stability
- Hygroscopic
- Cosmetics Ingredients Functions
- SKIN PROTECTINGANTIOXIDANTANTIMICROBIAL
- InChI
- InChI=1S/C6H11NO3.ClH/c1-10-6(9)3-2-5(8)4-7;/h2-4,7H2,1H3;1H
- InChIKey
- UJYSYPVQHFNBML-UHFFFAOYSA-N
- SMILES
- C(=O)(CN)CCC(=O)OC.Cl
- CAS DataBase Reference
- 79416 · 79416-27-6(CAS DataBase Reference)
- FDA UNII
- 7 S73606O1A · 7S73606O1A
- UNSPSC Code
- 12352209 · 12352209
- NACRES
- 26 · NA.26
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- hs_code
- 29225090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Uses5-Aminolevulinic acid methyl ester hydrochloride is used in photodynamic therapy.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [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]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
河北创海生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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