Basic information
- CAS
13072-69-0- Standard SMILES
NC(=O)NC12CC3CC(CC(C3)C1)C2- InChIKey
QYYHPAUOLCHORH-UHFFFAOYSA-N- Molecular formula
- C11H18N2O
- Average molar mass
- 194.27 g/mol
- Monoisotopic mass
- 194.1419132
Names & identifiers
- Preferred name
- N-tricyclo(3.3.1.1'3,7)dec-1-ylurea
- IUPAC
- 1-adamantylurea
- English name
- N-(1-Adamantyl)urea
- Molecular formula
- C11H18N2O
- Molecular weight
- 194.27
Names & synonyms
N-Tricyclo(3.3.1.1'3,7)dec-1-ylureaRefChem:831189235-965-913072-69-0N-(1-Adamantyl)urea1-Adamantylurea1-(Adamantan-1-yl)ureaN-1-adamantylureaAdamantan-1-yl-ureaN-(1-Adamantyl)-urea(ADAMANTAN-1-YL)UREAMFCD00074734
Show more names
AKOS BC-0666IFLAB-BB F1928-0019SALOR-INT L496030-1EALABOTEST-BB LT00007824
N-adamantanylaminoamideUrea, tricyclo(3.3.1.1(sup 3,7))dec-1-yl-Urea, N-tricyclo[3.3.1.13,7]dec-1-yl-urea, N-tricyclo[3.3.1.1~3,7~]dec-1-yl-1-(1-Adamantyl)ureaUrea, (1-adamantyl)-EINECS 235-965-9NSC 114904
Database identifiers
- CAS
13072-69-0- PubChem CID
- 64166
- DTXSID
DTXSID60156693- EC Number
- 235-965-9
- Nikkaji
- J81.543H
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 250 °C · 250 °C
- Boiling point
- 330.73 °C · 330.73°C (rough estimate)
- Density
- 1.17 · 1.17±0.1 g/cm3 (20 ºC 760 Torr)
- refractive index
- 1.472 · 1.4720 (estimate)
- storage temp.
- Store at room temperature
- pka
- 13.94 · 13.94±0.20(Predicted)
- Appearance
- White to off-white Solid
- EWG's Food Scores
- 1 · 1
- Safety Statements
- 24 · 24/25
- RTECS
- 4560000 · YU4560000
- HazardClass
- IRRITANT
- HS Code
- 29242998 · 29242998
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
Warning
H302 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- rtecs
- YU4560000
- hs_code
- 29242998
- safety_code
- 24/25
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers27 total
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
重庆茂环科技有限公司13996103726 · [email protected]
北京颖诺凯胜科技有限公司010-56541685 13070143590 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
苏州键合化学试剂有限公司0512-69561983 13914027025 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
天津安浩生物科技有限公司[email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [email protected]
南京熙泽医药科技有限公司025-66023220 15250997978 · [email protected]
Related reactions
1 records
Compound notes
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