Basic information
- CAS
6972-69-6- Standard SMILES
CN(C)C(=O)c1cccnc1- InChIKey
FJEVKYZLIRAAKE-UHFFFAOYSA-N- Molecular formula
- C8H10N2O
- Average molar mass
- 150.18 g/mol
- Monoisotopic mass
- 150.07931294
Names & identifiers
- Preferred name
- N,N-Dimethylnicotinamide
- IUPAC
- N,N-dimethylpyridine-3-carboxamide
- English name
- N,N-Dimethylnicotinamide
- Molecular formula
- C8H10N2O
- Molecular weight
- 150.18
Names & synonyms
N,N-DimethylnicotinamideN,N-DimethylniacinamideUNII-8T2WXO03YL8T2WXO03YLNSC-62007EINECS 230-209-4NSC 62007DTXSID702200113-PYRIDINECARBOXYLIC ACID,AMIDE,N,N-DIMETHYL; NICOTINIC ACID,AMIDE,N,N-DIMETHYLRefChem:161311DTXCID70142502FJEVKYZLIRAAKE-UHFFFAOYSA-N
Show more names
N,N-diamidedimethylnicotinamideNicotinamide Impurity 97N,N-Dimethylnicotinamide >3-(Dimethylcarbamoyl)pyridinenicotinic acid,amide,N,N-dimethylNICOTINAMIDE, N,N-DIMETHYL- (8CI)N,N-diMethyl-3-PyridinecarboxaMide
InChI=1/C8H10N2O/c1-10(2)8(11)7-4-3-5-9-6-7/h3-6H,1-2H6972-69-6N,N-Dimethylpyridine-3-carboxamideN,N-Dimethyl nicotinamideNicotinic acid dimethylamide3-Pyridinecarboxamide, N,N-dimethyl-Nicotinamide, N,N-dimethyl-MFCD00059169
Database identifiers
- CAS
6972-69-6- PubChem CID
- 81444
- DTXSID
DTXSID70220011- UNII
- 8T2WXO03YL
- EC Number
- 230-209-4
- Nikkaji
- J150.896B
Properties
Computed structural properties
- XLogP
- -0.5
- Topological polar surface area
- 33.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 145
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
LogP-0.48
Physicochemical properties
- Melting point
- 44 °C · 44°C
- Boiling point
- 147 °C · 147 °C / 9mmHg
- Density
- 1.088 · 1.088±0.06 g/cm3(Predicted)
- storage temp.
- Inert atmosphere,Room Temperature
- form
- powder to crystal
- pka
- 3.92 · 3.92±0.10(Predicted)
- color
- White to Light yellow
- InChI
- 1S/C8H10N2O/c1-10(2)8(11)7-4-3-5-9-6-7/h3-6H,1-2H3
- InChIKey
- FJEVKYZLIRAAKE-UHFFFAOYSA-N
- SMILES
- CN(C)C(=O)c1cccnc1
- FDA UNII
- 8 T2WXO03YL · 8T2WXO03YL
- UNSPSC Code
- 12352200 · 12352200
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 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 (97.5%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933399990
- risk_code
- 22
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
常州金和生物科技有限公司18796930758 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Aladdin Scientific[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）
Related reactions
1 records
Compound notes
Loading…