Basic information
- CAS
2696-84-6- Standard SMILES
CCCc1ccc(N)cc1- InChIKey
OAPDPORYXWQVJE-UHFFFAOYSA-N- Molecular formula
- C9H13N
- Average molar mass
- 135.21 g/mol
- Monoisotopic mass
- 135.10479942
Overview
structure in first source
Names & identifiers
- Preferred name
- 4-Propylaniline
- IUPAC
- 4-propylaniline
- English name
- 4-Propylaniline
- Molecular formula
- C9H13N
- Molecular weight
- 135.21
Names & synonyms
4-Propylaniline2696-84-64-n-PropylanilineBenzenamine, 4-propyl-p-Propylanilinep-n-PropylanilineAniline, p-propyl-Aniline, 4-propyl-4-PropylbenzenamineDTXSID50481807G7VT35H29NSC-13208
Show more names
4-propyl-anilinp-propyl-anilin4-propyl-benzenamin
DTXCID1028154RefChem:100423220-271-01-Amino-4-propylbenzeneMFCD00007924NSC 13208p-Aminopropylbenzene4-propylphenylamine
Database identifiers
- CAS
2696-84-6- PubChem CID
- 75908
- DTXSID
DTXSID5048180- ChEMBL
CHEMBL3187279- UNII
- 7G7VT35H29
- EC Number
- 220-271-0
- Nikkaji
- J55.232A
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 82.7
Experimental & physicochemical properties
LogP2.4
Physicochemical properties
- Melting point
- 31.33 °C · 31.33°C (estimate)
- Boiling point
- 224 · 224-226 °C(lit.)
- Density
- 0.919 g/mL · 0.919 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.543(lit.)
- Flash point
- 219 °F · 219 °F
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 4.75 · 4.75±0.10(Predicted)
- Appearance
- Light yellow to brown Liquid
- Sensitive
- Light Sensitive
- BRN
- 2205524 · 2205524
- CAS DataBase Reference
- 2696 · 2696-84-6(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 7 G7VT35H29 · 7G7VT35H29
- EPA Substance Registry System
- 4 · Benzenamine, 4-propyl- (2696-84-6)
- Symbol(GHS)
- 7 · GHS07,GHS06
- Signal word
- Warning
- Hazard statements
- 302 · H302-H312-H331-H302+H312+H332-H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P305+P351+P338-P280h-P304+P340-P311a-P405-P501a
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-37/39
- RIDADR
- 2810 · 2810
- WGK Germany
- 3 · 3
- RTECS
- 8320000 · BY8320000
- TSCA
- TSCA listed
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29214200 · 29214200
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (13.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (13.3%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- rtecs
- BY8320000
- ridadr
- 2810
- hs_code
- 29214200
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS06
- hazard_code
- Xi
- safety_code
- 26-37/39
- hazard_class
- 6.1
- packing_group
- III
- Hazard statements
- H302-H312-H331-H302+H312+H332-H315-H319-H335
- Precautionary statements
- P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501-P305+P351+P338-P280h-P304+P340-P311a-P405-P501a
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzenamine, 4-propyl-: INACTIVE
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers73 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京凯美西化工有限公司02558748998 18951874644 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
温州共赢化学有限公司+86-0086-577-64498589 +86-15355981851 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[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]
上海辅欣医药科技有限公司+86-021-021-50872116 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
玛雅试剂+86 (573) 82222445 (0)18006601000 452520369 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
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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]
成都零六生物科技有限公司400-1166-196 13458535857 · [email protected]
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科瑞希（天津）新材料技术有限公司022-83945173 18622315263 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
山东西亚化学有限公司4009903999 13395398332 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
山东小野化学股份有限公司0539-6362799 20）
诺坦药业（启东）有限公司13906246579 13906246579 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 400821072 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
武汉赢元贝商贸有限公司86-13349903920 13349903920 · [email protected]
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上海茉馥医药科技有限公司+86-188369842 +86-15618151133 · [email protected]
广东翁江化学试剂有限公司0751-2815688 13927872512 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海氟德化工有限公司021-544580828 021-54450828 · [email protected]
海蔚化学86-21-51086038 · [email protected]
Related reactions
22 records
Compound notes
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