Basic information
- CAS
54897-62-0- Standard SMILES
CCN(CCCCO)N=O- InChIKey
SAWPRHGGVOPPSR-UHFFFAOYSA-N- Molecular formula
- C6H14N2O2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.10552769
Overview
N-ethyl-N-(4-hydroxybutyl)nitrous amide is a nitrosamine.
Names & identifiers
- Preferred name
- 4-(Ethylnitrosoamino)-1-butanol
- IUPAC
- N-ethyl-N-(4-hydroxybutyl)nitrous amide
- English name
- N-Ethyl-N-butan-4-ol-nitrosamine
- Molecular formula
- C6H14N2O2
- Molecular weight
- 146.19
Names & synonyms
54897-62-0N-Ethyl-N-(4-hydroxybutyl)nitrosamineN-Ethyl-N-(4-hydroxybutyl)nitrosoamine1-BUTANOL, 4-(ETHYLNITROSOAMINO)-4-(Ethylnitrosoamino)-1-butanolDTXSID70203384RefChem:516068DTXCID70125875N-Ethyl-n-butan-4-ol-nitrosamineEHBNN-ethyl-N-(4-hydroxybutyl)nitrous amide1BL5T2E6YF
Show more names
ethylbutanolnitrosamineN-ethyl-(4-hydroxybutyl)nitrosamineN-Ethyl-N-(4-hydroxybutyl)nitrosamine>
CCRIS 1023BRN 2240539N-Ethyl-N-nitroso-4-aminobutanolSAWPRHGGVOPPSR-UHFFFAOYSA-N4-(Ethylnitrosoamino)-1-butanol; 4-(N-Ethyl-N-nitrosoamino)-1-butanol; N-Ethyl-N-(4-hydroxybutyl)nitrosamine; N-Ethyl-N-(4-hydroxybutyl)nitrosoamineUNII-1BL5T2E6YFSCHEMBL1055734-(ethylnitrosoamino)-1-butano
Database identifiers
- CAS
54897-62-0- PubChem CID
- 41223
- DTXSID
DTXSID70203384- ChEBI
CHEBI:231543
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 87.8
Physicochemical properties
- Boiling point
- 140 °C · 140 °C / 4mmHg
- Density
- 1.05 · 1.05
- refractive index
- 1.472 · 1.4720-1.4750
- solubility
- Chloroform (Sparingly), Methanol (Slightly)
- pka
- 15.03 · 15.03±0.10(Predicted)
- form
- Oil
- color
- Colourless to Pale Yellow
- FDA UNII
- 1 BL5T2E6YF · 1BL5T2E6YF
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312+H332
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
- RTECS
- 3870000 · EL3870000
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
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P318, P321, P330, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- rtecs
- EL3870000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312+H332
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P501
Chemistry & industry
Applications
UsesN-Ethyl-N-butan-4-ol-nitrosamine can be used to study lack of tumorigenic effects on rat renal pelvic transitional epithelium of life-span exposure to low doses of a bladder carcinogen
Suppliers23 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [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]
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]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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