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Basic information
- CAS
4410-31-5- Standard SMILES
NC(=O)C(O)c1ccccc1- InChIKey
MAGPZHKLEZXLNU-UHFFFAOYSA-N- Molecular formula
- C8H9NO2
- Average molar mass
- 151.16 g/mol
- Monoisotopic mass
- 151.06332853
Overview
Mandelamide is a monocarboxylic acid amide that is phenylacetamide in which one of the benzylic hydrogens has been replaced by a hydroxy group. It is a member of benzyl alcohols, a monocarboxylic acid amide and a secondary alcohol. It is functionally related to a phenylacetic acid.
Names & identifiers
- Preferred name
- Mandelamide
- IUPAC
- 2-hydroxy-2-phenylacetamide
- English name
- DL-MANDELAMIDE
- Molecular formula
- C8H9NO2
- Molecular weight
- 151.16
Names & synonyms
2-Hydroxy-2-phenylacetamide4410-31-5MandelamideI5M132OPVNNSC-16603Benzeneacetamide, alpha-hydroxy-CHEBI:136824DTXSID901318287RefChem:155561MANDELAMIDE, (A+-)-DTXCID80893679dl-Mandelamide
Show more names
Mandelamide 97%Compound PDK0222DL-MANDELAMIDE 98%(+/-)-Mandelamide, 97%α-Hydroxybenzeneacetamidea-Hydroxy-benzeneacetamide2-Phenyl-2-hydroxyacetamide
(+/-)-mandelamide4358-86-5MFCD000254952-hydroxy-2-phenyl-acetamideBenzeneacetamide, .alpha.-hydroxy-AMYGDALINAMIDE(2S)-2-Hydroxy-2-phenyl-acetamidemandelic acid amide
Database identifiers
- CAS
4410-31-5- PubChem CID
- 73558
- DTXSID
DTXSID901318287- ChEBI
CHEBI:136824- UNII
- I5M132OPVN
- EC Number
- 626-245-9
- Nikkaji
Properties
Computed structural propertiesFilling in
- XLogP
- 0
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Melting point
- 133 · 133-137 °C(lit.)
- Boiling point
- 345.5 · 345.5±35.0 °C(Predicted)
- Density
- 1.246 · 1.246±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- form
- solid
- pka
- 12.46 · 12.46±0.20(Predicted)
- Appearance
- White to off-white Solid
- BRN
- 2208677 · 2208677
- InChI
- InChI=1S/C8H9NO2/c9-8(11)7(10)6-4-2-1-3-5-6/h1-5,7,10H,(H2,9,11)
- InChIKey
- MAGPZHKLEZXLNU-UHFFFAOYSA-N
- SMILES
- C1(C(O)C(N)=O)=CC=CC=C1
- CAS DataBase Reference
- 4410 · 4410-31-5(CAS DataBase Reference)
- FDA UNII
- 5 M132OPVN · I5M132OPVN
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
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 2.4% (1 of 41) of reports.
Warning
H302 (95.1%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (95.1%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- risk_code
- 22-36/37/38-36
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P270-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers49 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806 · [email protected]
河北枫嘉新材料科技有限公司+86-0311-87836622 +86-18712993135 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Related reactions
4 records
Compound notes
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