Basic information
- CAS
3470-53-9- Standard SMILES
Nc1ccc2c(c1)CCCC2=O- InChIKey
BEVVUJBVEXJGKM-UHFFFAOYSA-N- Molecular formula
- C10H11NO
- Average molar mass
- 161.2 g/mol
- Monoisotopic mass
- 161.08406397
Overview
6-Amino-1,2,3,4-tetrahydronaphthalen-1-one is a member of tetralins.
Names & identifiers
- Preferred name
- 6-Amino-1,2,3,4-tetrahydronaphthalen-1-one
- IUPAC
- 6-amino-3,4-dihydro-2H-naphthalen-1-one
- English name
- 6-Amino-3,4-dihydro-1(2H)-naphthalenone
- Molecular formula
- C10H11NO
- Molecular weight
- 161.2
Names & synonyms
6-Amino-1,2,3,4-tetrahydronaphthalen-1-oneDTXSID40320931RefChem:540039DTXCID90272052629-055-43470-53-96-amino-3,4-dihydronaphthalen-1(2H)-one6-Amino-3,4-dihydro-1(2H)-naphthalenone6-amino-3,4-dihydro-2H-naphthalen-1-one6-Amino-1-tetraloneMFCD000994626-Aminotetralone
Show more names
6-Aminotetralin-1-one6-AMino-16-Amino-1-tetralone>4-tetrahydronaphthalen-1-one6-Amino-3,4-dihydro-1(2H<6-Amino-1-tetralone≥ 99% (HPLC)
CHEBI:1945846-Azanyl-3,4-Dihydro-2~{h}-Naphthalen-1-OnePS-44446-amino-3,4-dihydronaphthalen-1 (2H)-oneZ9688526241(2H)-NAPHTHALENONE, 6-AMINO-3,4-DIHYDRO-8P1NSC366588
Database identifiers
- CAS
3470-53-9- PubChem CID
- 339537
- DTXSID
DTXSID40320931- ChEBI
CHEBI:194584- EC Number
- 629-055-4
- Nikkaji
- J37.372I
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 190
Physicochemical properties
- Melting point
- 130 °C · 130 °C
- Boiling point
- 359.4 · 359.4±31.0 °C(Predicted)
- Density
- 1.193 · 1.193±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- soluble in Methanol
- form
- powder to crystal
- pka
- 2.2 · 2.20±0.20(Predicted)
- color
- Light yellow to Brown
- Sensitive
- Moisture Sensitive
- InChI
- InChI=1S/C10H11NO/c11-8-4-5-9-7(6-8)2-1-3-10(9)12/h4-6H,1-3,11H2
- InChIKey
- BEVVUJBVEXJGKM-UHFFFAOYSA-N
- SMILES
- C1(=O)C2=C(C=C(N)C=C2)CCC1
- CAS DataBase Reference
- 3470 · 3470-53-9(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- PPE
- 2 · Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- Hazard Codes
- T;Xn,Xi,Xn,T
- Risk Statements
- 20 · 20/21/22-25
- Safety Statements
- 22 · 22-26-36/37/39-45
- RIDADR
- 2811 · UN 2811
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HazardClass
- 6.1 · 6.1
- HS Code
- 2921450090 · 2921450090
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 Oral · Acute Tox. 3 Oral
- Limited Quantities
- 5 kg · 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (97.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 3 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.8%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
- wgk
- 3
- ridadr
- UN 2811
- hs_code
- 2921450090
- risk_code
- 20/21/22-25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T;Xn,Xi,Xn,T
- hazard_note
- Irritant
- safety_code
- 22-26-36/37/39-45
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Limited Quantities
- 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
苏州道澜生物医药科技有限公司15952404857 · [email protected]
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上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
河南多贝化工有限公司0370-6999054 17550096163 · [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]
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常州沃研化工有限公司0510-83782303 13771177691 · [email protected]
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南京宇山万方生物科技有限公司18014482516 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
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上海钰康生物科技有限公司+86-18930848214 +86-021-56762820 · [email protected]
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常州环灵化工有限公司89803005 18206112582 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
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TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
上海卡洛化学有限公司21-33526724 18930996265 · [email protected]
洛阳佳得康化工科技有限公司16668001218 · [email protected]
深圳康特腾科技有限公司86-0755-86635001 · [email protected]
武汉翱飞科技有限公司15841022315 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
HBCChem, Inc.+1-510-219-6317 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
郑州萃智医药科技有限公司19943855286 · [email protected]
杭州杰恒化工有限公司0571-87396432 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
陕西缔都医药化工有限公司029-81024372 17792795018 · [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]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
杭州六可生物科技有限公司+86-0571-86912261 +86-15658003402 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
北京禾兴源科技有限公司18511709189 · [email protected]
Additional notes
DefinitionChEBI: 6-Amino-1,2,3,4-tetrahydronaphthalen-1-one is a member of tetralins.
Related reactions
35 records
Compound notes
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