Basic information
- CAS
3430-27-1- Standard SMILES
Cc1ccncc1N- InChIKey
IBKMZYWDWWIWEL-UHFFFAOYSA-N- Molecular formula
- C6H8N2
- Average molar mass
- 108.14 g/mol
- Monoisotopic mass
- 108.06874826
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-Amino-4-picoline
- IUPAC
- 4-methylpyridin-3-amine
- English name
- 3-Amino-4-methylpyridine
- Molecular formula
- C6H8N2
- Molecular weight
- 108.14
Names & synonyms
3-Amino-4-picolineRefChem:5050913-Amino-4-methylpyridine3430-27-14-methylpyridin-3-amine3-Pyridinamine, 4-methyl-4-Methyl-3-pyridinamine3-AMino-4-Methyl pyridine4-Methyl-pyridin-3-ylamineMFCD00128871UNII-9HN55RQ07B5-amino-4-picoline
Show more names
AMpic3-Amino-4-picoL3-AMino-g-picolineIFLAB-BB F1957-0029Tofatinib Impurity 86-methylpyridin-amine
9HN55RQ07B4-methylpyridin-3-ylamineTofacitinib Related Impurity 2IBKMZYWDWWIWEL-UHFFFAOYSA-3-Amino-4-methylpyridine, 97%AC-1106AF-807/00322016Z625801040
Database identifiers
- CAS
3430-27-1- PubChem CID
- 137935
- DTXSID
DTXSID20187867- UNII
- 9HN55RQ07B
- EC Number
- 608-968-1
- Nikkaji
- J79.795B
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.9
Physicochemical properties
- Melting point
- 102 · 102-107 °C
- Boiling point
- 254 °C · 254°C
- Density
- 1.0275 · 1.0275 (estimate)
- refractive index
- 1.556 · 1.5560 (estimate)
- Flash point
- 254 °C · 254°C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- solubility
- Chloroform, Ethyl Acetate, Methanol
- form
- powder to crystal
- pka
- 6.83 · 6.83±0.18(Predicted)
- color
- White to Brown
- Sensitive
- Hygroscopic
- BRN
- 107792 · 107792
- InChI
- InChI=1S/C6H8N2/c1-5-2-3-8-4-6(5)7/h2-4H,7H2,1H3
- InChIKey
- IBKMZYWDWWIWEL-UHFFFAOYSA-N
- SMILES
- C1=NC=CC(C)=C1N
- CAS DataBase Reference
- 3430 · 3430-27-1(CAS DataBase Reference)
- FDA UNII
- 9 HN55RQ07B · 9HN55RQ07B
- NIST Chemistry Reference
- 3 · 3-Pyridinamine, 4-methyl-(3430-27-1)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- 95 · dust mask type N95 (US), Eyeshields, Gloves
- Hazard Codes
- T,Xn
- Risk Statements
- 23 · 23/24/25-36/37/38-41-37/38-22-20/21/22
- Safety Statements
- 26 · 26-36/37/39-45-36
- RIDADR
- 2811 · 2811
- WGK Germany
- 3 · 3
- Hazard Note
- Toxic
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29333990 · 29333990
- 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
H301 (12.5%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (12.5%)
Safety data
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- ridadr
- 2811
- hs_code
- 29333990
- risk_code
- 23/24/25-36/37/38-41-37/38-22-20/21/22
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- T,Xn
- hazard_note
- Toxic
- safety_code
- 26-36/37/39-45-36
- hazard_class
- 6.1
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
INTATRADE GmbH+49 3493/605464 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
科瑞迪化学400-821-5857 021-64326257 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
阜新四维卤化物有限公司0418-2260776 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
湖北冠众通科技有限公司0716-7227299 13507251920
上海相辉医药科技有限公司13761987713 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
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]
上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
上海常丰生物医药科技有限公司+86-021-61727342 13611721451 · [email protected]
孝感深远化工有限公司15527621225; 15527621225 · [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]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
南京维奥化工有限公司Please Send Email 18652950785 · [email protected]
广州科瑞生物技术有限公司20-66003216 18666003216 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
苏州思变化学技术有限公司0512-65617459 18915409046 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
阜新奥瑞凯精细化工有限公司（沈阳同元素）+86-024-83607930 18640359690 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
卡迪亚医药科技有限公司0371-86615086 18203638366 0371-86159066 13526786601
上海贤鼎生物科技有限公司4009209199 · [email protected]
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
越林试剂021-62960152 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
苏州安尼康药物研发有限公司0512-69369885 · [email protected]
无锡中坤生化科技有限公司+86 0510-85629785
杭州迈世腾药物科技有限公司0571-82896630 18969958410 · [email protected]
Additional notes
Definition3-amido-4-methylpyridine could synthesize 2-chlorin-3-amido-4-methyl pyridine through chlorination, the key intermediate of synthesizing anti-AIDS pharmaceutical nevirapine.
Related reactions
52 records
Compound notes
Loading…