Basic information
- CAS
1694-97-9- Standard SMILES
CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)O- InChIKey
AYLCDVYHZOZQKM-JTQLQIEISA-N- Molecular formula
- C11H13N3O6
- Average molar mass
- 283.24 g/mol
- Monoisotopic mass
- 283.08043514
Overview
N-(2,4-dinitrophenyl)-l-valine is a valine derivative.
Names & identifiers
- Preferred name
- N-(2,4-Dinitrophenyl)-L-valine
- IUPAC
- (2S)-2-(2,4-dinitroanilino)-3-methylbutanoic acid
- English name
- N-(2,4-Dinitrophenyl)-L-valine
- Molecular formula
- C11H13N3O6
- Molecular weight
- 283.24
Names & synonyms
N-(2,4-Dinitrophenyl)-L-valine1694-97-9RefChem:1090868216-909-2(2S)-2-[(2,4-dinitrophenyl)amino]-3-methylbutanoic acidN-2,4-Dnp-L-valineMFCD00038096N-Dinitrophenyl-l-valine(2S)-2-(2,4-dinitroanilino)-3-methylbutanoic acidN-(2,4-Dinitrophenyl)-valinT704062-(2,4-Dinitroanilino)-3-methylbutanoic acid #
Show more names
DNP-L-VALINEDinitrophenylvalineLinagliptin Impurity 121N-Dnp-L-valine Dnp-Val-OHN-(2,4-Dinitrophenyl)valine
N-Dnp-L-valineDnp-Val-OHEINECS 216-909-2L-Valine, N-(2,4-dinitrophenyl)-(S)-2-((2,4-Dinitrophenyl)amino)-3-methylbutanoic acid(2,4-dinitrophenyl)-L-valineSCHEMBL11197355SCHEMBL31429843
Database identifiers
- CAS
1694-97-9- PubChem CID
- 96810
- ChEBI
CHEBI:191139
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Melting point
- 131 °C · 131 °C
- Boiling point
- 504.1 · 504.1±50.0 °C(Predicted)
- Density
- 1.46 · 1.460±0.06 g/cm3(Predicted)
- refractive index
- -26 ° · -26 ° (C=1, AcOH)
- storage temp.
- 20 °C · −20°C
- solubility
- almost transparency in Methanol
- form
- powder to crystal
- pka
- 3.56 · 3.56±0.10(Predicted)
- color
- Light yellow to Yellow to Orange
- CAS DataBase Reference
- 1694 · 1694-97-9(CAS DataBase Reference)
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
- Hazard statements
- 228 · H228
- Precautionary statements
- 210 · P210-P240-P241-P280
- RIDADR
- 1325 · 1325
- WGK Germany
- 3 · 3
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
Danger
H228 (100%): Flammable solid [Danger Flammable solids]
P210, P240, P241, P280, and P370+P378 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Sol. 1 (100%)
Safety data
- wgk
- 3
- ridadr
- 1325
- hs_code
- 2922.50.5000
- Signal word
- Danger
- Symbol(GHS)
- GHS02
- hazard_class
- 4.1
- packing_group
- II
- Hazard statements
- H228
- Precautionary statements
- P210-P240-P241-P280
Chemistry & industry
Suppliers33 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
河南闰霖化工有限公司+86-18738066252; +86-18738066252 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
成都创科诚生物科技有限公司028-028-0000000 13008177686 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海鑫圭生物科技有限公司
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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