Basic information
- CAS
7528-78-1- Standard SMILES
N#CCCN(CCC#N)CCC#N- InChIKey
FYYPYNRGACGNNN-UHFFFAOYSA-N- Molecular formula
- C9H12N4
- Average molar mass
- 176.22 g/mol
- Monoisotopic mass
- 176.1061964
Names & identifiers
- Preferred name
- Propanenitrile, 3,3',3''-nitrilotris-
- IUPAC
- 3-[bis(2-cyanoethyl)amino]propanenitrile
- English name
- Tris(2-cyanoethyl)amine 99+%
- Molecular formula
- C9H12N4
- Molecular weight
- 176.22
Names & synonyms
7528-78-1Tris(2-cyanoethyl)aminePropanenitrile, 3,3',3''-nitrilotris-3,3',3''-NitrilotripropionitrileTris(beta-cyanoethyl)aminePropionitrile, 3,3',3''-nitrilotri-NSC 61541DTXSID70647323,3',3''-Nitrilotris[propanenitrile]3,3',3''-Nitrilotris(propanenitrile)RefChem:868996DTXCID8047765
Show more names
Tris(2-cyanoethyl)amine 99+%3,3',3''-Nitrilotrispropanenitrile
Propionitrile, 3,3',3''-nitrilotri-(8CI)678-643-73,3',3''-Nitrilotripropanenitrile3-[bis(2-cyanoethyl)amino]propanenitrile3,3,3-NitrilotripropionitrileMFCD00671575XF7HFR7YMXNSC-61541
Database identifiers
- CAS
7528-78-1- PubChem CID
- 82028
- DTXSID
DTXSID7064732- UNII
- XF7HFR7YMX
- EC Number
- 678-643-7
- Nikkaji
- J421.865E
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Physicochemical properties
- Melting point
- 60 °C · 60 °C
- Boiling point
- 140 °C · 140 °C / 10mmHg
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 1.2 · 1.20±0.30(Predicted)
- color
- White to Almost white
- FDA UNII
- 7 HFR7YMX · XF7HFR7YMX
- EPA Substance Registry System
- 3 · Propanenitrile, 3,3',3''-nitrilotris- (7528-78-1)
- Symbol(GHS)
- 5 · GHS05,GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301+H311+H331-H314
- Precautionary statements
- 260 · P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P233-P405-P501
- RIDADR
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 3 (100%)
Safety data
- tsca
- TSCA listed
- ridadr
- UN 2923 8/6.1/PG III
- hs_code
- 2926.90.5050
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS06
- hazard_class
- 8/6.1
- packing_group
- III
- Hazard statements
- H301+H311+H331-H314
- Precautionary statements
- P260-P264-P270-P271-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P403+P233-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanenitrile, 3,3',3''-nitrilotris-: ACTIVE
Suppliers46 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]
宁波振岳医药科技有限公司19817745290 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
焦作沃恩生物科技有限责任公司0391-3702345 18739121806 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海弘顺生物科技有限公司15901914505 · [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]
北京索莱宝科技有限公司
Related reactions
1 records
Compound notes
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