Basic information
- Standard SMILES
NCC12CC3CC(CC(C3)C1)C2- InChIKey
XSOHXMFFSKTSIT-UHFFFAOYSA-N- Molecular formula
- C11H19N
- Average molar mass
- 165.27 g/mol
- Monoisotopic mass
- 165.15174961
Names & identifiers
- Preferred name
- Tricyclo(3.3.1.13,7)dec-1-ylmethylamine
- IUPAC
- 1-adamantylmethanamine
- English name
- 1-Adamantanemethylamine
- Molecular formula
- C11H19N
- Molecular weight
- 165.28
Names & synonyms
Tricyclo(3.3.1.13,7)dec-1-ylmethylamineEINECS 241-752-1NSC 285231DTXSID90170367Tricyclo[3.3.1.13,7]dec-1-ylmethylamineRefChem:899313DTXCID7092858241-752-11-Adamantanemethylamine17768-41-1adamantan-1-ylmethanamine1-Adamantylmethanamine
Show more names
1-ADMAMrz-2/16AKOS B014406AKOS BC-01961-ADAMANTYLMETHYLAMINE1-Adamantanemethanamine1-Adamentinemethylamine
1-(Aminomethyl)adamantane1-Aminomethyladamantane1-(aminomethyl)-adamantaneMFCD000747501-adamantanemethyl amineadamantylmethylamine1-(ADAMANTAN-1-YL)METHANAMINE1-adamantanmethyl amine
Database identifiers
- CAS
17768-41-1- PubChem CID
- 86625
- DTXSID
DTXSID90170367- ChEMBL
CHEMBL336585- EC Number
- 241-752-1
- Nikkaji
- J82.677D
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 156
Physicochemical properties
- Boiling point
- 83 · 83-85 °C/0.3 mmHg (lit.)
- Density
- 0.933 g/mL · 0.933 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.5137(lit.)
- Flash point
- 198 °F · 198 °F
- storage temp.
- 2 · 2-8°C(protect from light)
- form
- Liquid
- pka
- 10.71 · 10.71±0.29(Predicted)
- color
- Colorless to pale yellow
- Sensitive
- Air Sensitive
- InChI
- 1S/C11H19N/c12-7-11-4-8-1-9(5-11)3-10(2-8)6-11/h8-10H,1-7,12H2/t8-,9+,10-,11-
- InChIKey
- XSOHXMFFSKTSIT-BIBSGERRSA-N
- SMILES
- NCC12C[C@H]3C[C@H](C[C@H](C3)C1)C2
- CAS DataBase Reference
- 17768 · 17768-41-1(CAS DataBase Reference)
- NIST Chemistry Reference
- 1 · 1-Adamantanemethylamine(17768-41-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Danger
- Hazard statements
- 314 · H314
- Precautionary statements
- 280 · P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
- Hazard Codes
- Xi,C
- Risk Statements
- 34 · 34
- Safety Statements
- 24 · 24/25-45-36/37/39-27-26
- RIDADR
- 2735 · UN 2735
- WGK Germany
- 3 · 3
- HazardClass
- 8 · 8
- HS Code
- 29213000 · 29213000
- Storage Class
- 8 A · 8A - Combustible corrosive hazardous materials
- Hazard Classifications
- 1 Skin · Eye Dam. 1Skin Corr. 1B
- Limited Quantities
- 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
Safety & regulation
GHS classification
GHS Classification
Danger
H314 (97.6%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Corr. 1B (97.6%)
Safety data
- wgk
- 3
- ridadr
- UN 2735
- hs_code
- 29213000
- risk_code
- 34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- Xi,C
- safety_code
- 24/25-45-36/37/39-27-26
- hazard_class
- IRRITANT
- Storage Class
- 8A - Combustible corrosive hazardous materials
- Hazard statements
- H314
- Limited Quantities
- 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
- Hazard Classifications
- Eye Dam. 1Skin Corr. 1B
- Precautionary statements
- P280-P303+P361+P353-P304+P340+P310-P305+P351+P338-P363-P405
Chemistry & industry
Applications
UsesAdamantan-1-ylmethanamine (1-Aminomethyladamantane) is a Hyt hydrophobic group. Adamantan-1-ylmethanamine can be used in the synthesis of ZX782 (HY-161972)[1].
General Description1-Adamantanemethylamine is a large amine present on the wall of 6,7-diaminoquinoxaline. The thermodynamic complex formation constant of 1-adamantanemethylamine was studied.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京修合医药科技有限公司19848384152 · [email protected]
上海腾准生物科技有限公司19821570922 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
重庆茂环科技有限公司13996103726 · [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]
上海颖心实验室设备有限公司021-59178156 17002132182 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安庆融创生物科技有限公司15001988657 · [email protected]
广东方信生物科技有限公司0751-2838688 13376594225 · [email protected]
Shangchem Co., Ltd.+86-21-68182121
上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
常州市华阳科技有限公司+8615250961469 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
skychemical Co.Ltd021-20958197 20965099 · [email protected]
ZHEJIANG JIUZHOU CHEM CO., LTD+86-0576225566889 +86-13454675544 · [email protected]；[email protected]；[email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
金克隆（北京）生物技术有限公司400-910-1997 15330005590 · [email protected]
艾科试剂4008-755-333 18080918076 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
上海宸香医药科技有限公司021-20960837 · [email protected]
湖北鑫源顺医药化工有限公司13971561712, 13995564702, 027-50664929 · [email protected]
安徽科迪达化工有限公司0554-2106669 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
Related reactions
109 records
Linked notes
Loading…