Basic information
- Standard SMILES
c1ccc(CNCc2ccccn2)nc1- InChIKey
KXZQYLBVMZGIKC-UHFFFAOYSA-N- Molecular formula
- C12H13N3
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.11094742
Overview
structure in first source
Names & identifiers
- Preferred name
- Bis(2-pyridylmethyl)amine
- IUPAC
- 1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
- English name
- 2,2'-Dipicolylamine
- Molecular formula
- C12H13N3
- Molecular weight
- 199.25
Names & synonyms
1539-42-02,2'-DipicolylamineBis(2-pyridylmethyl)amineP978WAD4KK2-Pyridinemethanamine, N-(2-pyridinylmethyl)-N-(2-Pyridylmethyl)pyridine-2-methylamineNSC-176070DTXSID8061767RefChem:440288DTXCID2034964216-266-8bis(pyridin-2-ylmethyl)amine
Show more names
BispicolylamineNSC 176070DimethylpyridiniumDimethylpyridinamineN,N-Di-2-picolylaminePICOLYLAMINE (BIS-2-)
Di-(2-picolyl)aminedipicolylamineBis-2-picolylaminebis-(2-Picolyl)amine1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamineN-(2-Pyridinylmethyl)-2-pyridinemethanamineMFCD00129044bis[(pyridin-2-yl)methyl]amine
Database identifiers
- CAS
1539-42-0- PubChem CID
- 73759
- DTXSID
DTXSID8061767- ChEMBL
CHEMBL1650627- UNII
- P978WAD4KK
- EC Number
- 216-266-8
- Nikkaji
- J69.942J
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 37.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 154
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Pyridines
Physical DescriptionYellow liquid; [Sigma-Aldrich MSDS]
Physicochemical properties
- Boiling point
- 139 · 139-141 °C/1 mmHg (lit.)
- Density
- 1.107 g/mL · 1.107 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.578(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- solubility
- water: soluble (partially miscible)(lit.)
- form
- clear liquid
- pka
- 5.89 · 5.89±0.20(Predicted)
- color
- White to Yellow to Green
- Water Solubility
- water: soluble (partially miscible)(lit.)
- InChI
- InChI=1S/C12H13N3/c1-3-7-14-11(5-1)9-13-10-12-6-2-4-8-15-12/h1-8,13H,9-10H2
- InChIKey
- KXZQYLBVMZGIKC-UHFFFAOYSA-N
- SMILES
- C1(CNCC2=NC=CC=C2)=NC=CC=C1
- FDA UNII
- 978 WAD4KK · P978WAD4KK
- EPA Substance Registry System
- 2 · 2,2'-Dipicolylamine (1539-42-0)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29333990 · 29333990
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Danger
H301 (29%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, 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 62 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazards SummaryA skin and strong eye irritant; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesAcute Tox. 3 (29%)
Safety data
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29333990
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2-Pyridinemethanamine, N-(2-pyridinylmethyl)-: ACTIVE
Applications
Uses2,2'-Dipicolylamine is a metal chelators and a potential MBL inhibitors.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Shandong chuangyingchemical Co., Ltd.18853181302 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
重庆张邦医药科技有限责任公司028-84252981 18583719936 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
南京圣亿来化工有限公司19951936396 · [email protected]
武汉泰易成生化药业有限公司027-88320699 · [email protected]
嘉兴市艾森化工有限公司0573-85285100 18627885956 · [email protected]
南京哈柏医药科技有限公司13376080562 13376090521 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
广东润兴生物科技有限公司18516234359 · [email protected]
四川库利南科技有限公司400-1166-196 18981987031 · [email protected]
天津希恩思生化科技有限公司400 638 7771 · [email protected]
常州创视电子科技有限公司+86 (519) 8829-2061 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611
江苏艾康生物医药研发有限公司025-66113011 13913916777 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
苏州信一药谷生物科技有限公司0512-65757861-8000 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
上海卫希医药科技有限公司021-56789108 18550363168 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
上海将来实业股份有限公司400-0066400 13621662912 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海创赛科技有限公司400-6087598 15021221957 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
南京皇泰医药科技有限公司025-58803135 18551845925 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2886766 13927870850 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海思言生物科技有限公司021-50908862，442785678，326799392 18721037013 · [email protected]
北京华威锐科化工科技有限公司89508211 18501085097 · [email protected]
上海前衍生物科技有限公司02781293128 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
Related reactions
17 records
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