Basic information
- CAS
3468-18-6- Standard SMILES
NCc1cccc2[nH]ccc12- InChIKey
FFBWKPKOXRMLNP-UHFFFAOYSA-N- Molecular formula
- C9H10N2
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.08439833
Names & identifiers
- Preferred name
- (1H-indol-4-yl)methanamine
- IUPAC
- 1H-indol-4-ylmethanamine
- English name
- 4-Aminomethylindole
- Molecular formula
- C9H10N2
- Molecular weight
- 146.19
Names & synonyms
(1H-Indol-4-yl)methanamineRefChem:392743663-726-24-Aminomethylindole3468-18-61H-indol-4-ylmethanamine1h-indole-4-methanamine4-(Aminomethyl)indole1-(1H-indol-4-yl)methanamine(1H-Indol-4-ylmethyl)amineMFCD04973297(1H-Indol-4-ymetyl)amine
Show more names
NSC 131886CHEMBRDG-BB 4003293INDOLE-4-METHYLAMINE4-(Aminomethyl)indole 95%
4-(aminomethyl)-indole4-(Aminomethyl)indole, 95%c-(1h-indol-4-yl)methylamineC-(1H-Indol-4-yl)-methylamineAS-39487SY027224EN300-3330611H-indol
Database identifiers
- CAS
3468-18-6- PubChem CID
- 280302
- DTXSID
DTXSID00299654- ChEBI
CHEBI:187682- EC Number
- 663-726-2
- Nikkaji
- J3.102.583D
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Physicochemical properties
- Melting point
- 132 ℃ · 132℃
- Boiling point
- 335.6 · 335.6±17.0 °C(Predicted)
- Density
- 1.199 · 1.199
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- Soluble in ethanol, dimethyl sulfoxide and dimethyl formamide.
- pka
- 17.21 · 17.21±0.30(Predicted)
- form
- A crystalline solid
- InChI
- 1S/C9H10N2/c10-6-7-2-1-3-9-8(7)4-5-11-9/h1-5,11H,6,10H2
- InChIKey
- FFBWKPKOXRMLNP-UHFFFAOYSA-N
- SMILES
- NCc1cccc2[nH]ccc12
- UNSPSC Code
- 12352100 · 12352100
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335-H319
- Precautionary statements
- 280 a-P304+P340-P405-P501a-P261-P280-P305+P351+P338 · P280a-P304+P340-P405-P501a-P261-P280-P305+P351+P338
- target organs
- Respiratory system
- Hazard Codes
- Xi,Xn
- Risk Statements
- 36 · 36/37/38-41-37/38-22
- Safety Statements
- 26 · 26-36/37/39
- WGK Germany
- 3 · WGK 3
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
- Storage Class
- 11 · 11 - Combustible Solids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (100%)；STOT SE 3 (100%)
Safety data
- wgk
- WGK 3
- hs_code
- 2933998090
- risk_code
- 36/37/38-41-37/38-22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xi,Xn
- safety_code
- 26-36/37/39
- hazard_class
- IRRITANT
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335-H319
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280a-P304+P340-P405-P501a-P261-P280-P305+P351+P338
Chemistry & industry
Applications
Description4-Aminomethylindole is a synthetic intermediate useful for pharmaceutical synthesis.
Uses4-Aminomethylindole is a useful research intermediate used in the preparation of dopamine receptor antagonist.
UsesReactant for preparation of dopamine receptor antagonists 1 Reactant for preparation of high-affinity ligands to α2δ subunit of voltage-gated calcium channels 2
Uses4-(Aminomethyl)indole is used as a reactant for preparation of dopamine receptor antagonists and for preparation of high-affinity ligands to α2δ subunit of voltage-gated calcium channels. It is used as a synthetic intermediate.
Upstream & downstream products
Upstream raw materials
Suppliers77 total
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
Bridge Organics+1269-649-4200 · [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]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
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Allfluoro Pharmaceutical Company Limited+86-400-0216110 +86-15958047586 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
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United Life Science020-82099279 18988941402 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
Shanghai Safer Pharmaceutical Technology Co., Ltd.021-31761238 · [email protected]
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天津诺康医药科技有限公司022-23989838 13810451150 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
苏州启航生物科技有限公司18151111370
上海拓朴医药科技有限公司+86 (21) 5196-9732
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
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KARMEL TECHNOLOGY (HK) CO.,LIMITED+8618795957998 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
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Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
江西弗莱医药科技有限公司15870833005 · [email protected]
南京科晟祥科技有限公司18252089365 · [email protected]
南京世洲生物科技有限公司025-85563444 18351873721 · [email protected]
宁夏碧翠丝医药科技有限公司15769589321 1548536191 · [email protected]
上海昂提生物科技有限公司13764913901 · [email protected]
上海缮远医药科技有限公司021-31761238 13167072949 · [email protected]
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上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
沧州恩科医药科技有限公司0317-5296180 15533709196 · [email protected]
上海依赫生物科技有限公司021-68882955 17721395025 · [email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
上海策嵘生物科技有限公司（定制合成实验室）13062833949 · [email protected]
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北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Additional notes
DefinitionChEBI: 4-Aminomethylindole is a member of indoles.
Related reactions
26 records
Compound notes
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