Basic information
- CAS
1688-71-7- Standard SMILES
CCCC(=O)c1ccc(N)cc1- InChIKey
CYCSOZSEBPZGPC-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 1-Butanone, 1-(4-aminophenyl)-
- IUPAC
- 1-(4-aminophenyl)butan-1-one
- English name
- 4'-AMINOBUTYROPHENONE
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
4'-Aminobutyrophenone1-Butanone, 1-(4-aminophenyl)-1-(4-Aminophenyl)-1-butanoneBRN 2084800DTXSID40618844-14-00-00166 (Beilstein Handbook Reference)RefChem:75231DTXCID0035407CYCSOZSEBPZGPC-UHFFFAOYSA-N1688-71-71-(4-aminophenyl)butan-1-onep-Aminobutyrophenone
Show more names
4-AMINOBUTYROPHENONE4’-amino-butyrophenonPARA-AMINOBUTYROPHENONE4'-Aminobutyrophenone98%1-(4-aminophenyl)-1-butanon
BUTYROPHENONE, 4'-AMINO-MFCD000171144''-AminobutyrophenoneSCHEMBL26778651-(4-aminophenyl)-butan-1-one1-(4-amino-phenyl)-butan-1-one1-(4-Aminophenyl)-1-butanone #SBB017672
Database identifiers
- CAS
1688-71-7- PubChem CID
- 15527
- DTXSID
DTXSID4061884- EC Number
- 670-494-6
- Nikkaji
- J421.587G
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 94 °C · 94 °C
- Boiling point
- 290.31 °C · 290.31°C (rough estimate)
- Density
- 1.0508 · 1.0508 (rough estimate)
- refractive index
- 1.54 · 1.5400 (estimate)
- storage temp.
- 2 · 2-8°C
- pka
- 2.17 · 2.17±0.10(Predicted)
- CAS DataBase Reference
- 1688 · 1688-71-7(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- EPA Substance Registry System
- 1 · 1-Butanone, 1-(4-aminophenyl)- (1688-71-7)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36/37/39
- Hazard Note
- Irritant
- TSCA
- TSCA listed
- HS Code
- 2914390090 · 2914390090
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, 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
- tsca
- TSCA listed
- hs_code
- 2914390090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-36/37/39
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Butanone, 1-(4-aminophenyl)-: INACTIVE
Upstream & downstream products
Upstream raw materials
Suppliers26 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
陕西麟邦实业有限公司17709134430 · [email protected]
上海鑫圭生物科技有限公司15121041756 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
广东翁江化学试剂有限公司0751-2815987 13927875076 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
武汉凯威斯科技有限公司027-67849912 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 +86-17392587031 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
禹州焓碳医药科技有限公司19963477321; 19963477321 · [email protected]
上海信旗医药科技有限公司+86-21-54098501 · [email protected]
南京汉海征程医药科技有限公司15850673134 · [email protected]
Related reactions
5 records
Compound notes
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