Basic information
- Standard SMILES
CC(C)OC(OC(C)C)N(C)C- InChIKey
XOZZATXWQMOVHL-UHFFFAOYSA-N- Molecular formula
- C9H21NO2
- Average molar mass
- 175.27 g/mol
- Monoisotopic mass
- 175.15722891
Names & identifiers
- Preferred name
- N,N,N-trimethyl-1,1-bis(1-methylethoxy)amine
- IUPAC
- N,N-dimethyl-1,1-di(propan-2-yloxy)methanamine
- English name
- N,N-Dimethylformamide diisopropyl acetal
- Molecular formula
- C9H21NO2
- Molecular weight
- 175.27
Names & synonyms
18503-89-4N,N-Dimethyl-1,1-bis(1-methylethoxy)methanamineN,N,N-Trimethyl-1,1-bis(1-methylethoxy)amineEINECS 242-386-5DTXSID20171701RefChem:822078DTXCID6094192242-386-5N,N-Dimethylformamide diisopropyl acetal1,1-diisopropoxy-n,n-dimethylmethanamineN,N-dimethyl-1,1-di(propan-2-yloxy)methanamineMFCD00008879
Show more names
SKL1154diisopropoxymethyl(dimethyl)aminediisopropoxy-N,N-dimethylmethanamine1,1‐Bis‐(1‐methylethoxy)‐trimethylamineN,N-DIMETHYLFORMAMIDE DI-N-PROPYL ACETAL
Methanamine, N,N-dimethyl-1,1-bis(1-methylethoxy)-[bis(propan-2-yloxy)methyl]dimethylaminedimethylformamide diisopropylacetal1,1-Diisopropoxytrimethylamine1,1-Diisopropoxy-N,N-dimethylmethylamineDimethyl(diisopropoxymethyl)amineDMF diisopropyl acetalN,N-DIMETHYLFORMAMIDE DIMETHYLACETATE
Database identifiers
- CAS
18503-89-4- PubChem CID
- 87682
- DTXSID
DTXSID20171701- UNII
- NZF48578HE
- EC Number
- 242-386-5
- Nikkaji
- J149.893B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 21.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 103
Physicochemical properties
- Boiling point
- 79 · 79-80 °C60 mm Hg(lit.)
- Density
- 0.838 g/mL · 0.838 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.409(lit.)
- Flash point
- 74 °F · 74 °F
- storage temp.
- -20 °C, · -20°C, protect from light
- form
- liquid
- pka
- 5.47 · 5.47±0.50(Predicted)
- Appearance
- Colorless to light yellow Liquid
- BRN
- 1901978 · 1901978
- InChI
- InChI=1S/C9H21NO2/c1-7(2)11-9(10(5)6)12-8(3)4/h7-9H,1-6H3
- InChIKey
- XOZZATXWQMOVHL-UHFFFAOYSA-N
- SMILES
- C(OC(C)C)(OC(C)C)N(C)C
- CAS DataBase Reference
- 18503 · 18503-89-4(CAS DataBase Reference)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Warning
- Hazard statements
- 226 · H226-H315-H319-H335
- Precautionary statements
- 210 · P210-P302+P352-P305+P351+P338
- target organs
- Respiratory system
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38-10
- Safety Statements
- 26 · 26-36
- RIDADR
- 1993 · UN 1993 3/PG 3
- WGK Germany
- 3 · 3
- HazardClass
- 3.2 · 3.2
- PackingGroup
- III
- HS Code
- 2922190090 · 2922190090
- Storage Class
- 3 · 3 - Flammable liquids
- Hazard Classifications
- 2 Flam · Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
Safety & regulation
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 2922190090
- risk_code
- 36/37/38-10
- Signal word
- Warning
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- target organs
- Respiratory system
- Hazard statements
- H226-H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3
- Precautionary statements
- P210-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesN,N-Dimethylformamide diisopropyl acetal was used in the quantification of cocaine and its metabolite, benzoyl ecgonine from urine matrix.
Upstream & downstream products
Upstream raw materials
Suppliers50 total
山东玖玥生物科技有限公司15553333686
上海康恩博医药科技有限公司17510465506 · [email protected]
国药集团化学试剂有限公司86-21-63210123 · [email protected]
宁波君龙新材料有限公司0574 88552216 19032109277 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [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]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
湖北云镁科技有限公司027-59206672 18995657604 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Syntechem Co.,Ltd[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海相辉医药科技有限公司13761987713; 13761987713 · [email protected]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
重庆星灿医药科技有限公司13594048950 19923294409 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [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]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
深圳市创鑫生物科技有限公司13417589054 · [email protected]
武汉易谊化学科技有限公司0711-3617768 13308685235 · [email protected]
Shanghai Acmec Biochemical Technology Co., Ltd.+86-18621343501 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
上海晶石医药科技有限公司021-000000 · [email protected]
宜城永鑫精细化工有限公司+86-0710-4323688 +86-18071785587 · [email protected]
常州市力仁医药科技有限公司0519-85859058 13915836899 · [email protected]
苏州诺行贸易有限公司0512-65816829 18662214788 · [email protected]
济南尚博生物科技有限公司+8615866703830 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
海蔚化学86-21-51086038 · [email protected]
湖北达豪化工有限公司027-027-59106191 13986034860 · [email protected]
爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
河南拉瓦锡化工产品有限公司0371-63682289 18625781376 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
山东明德生物技术有限公司18560864701 · [email protected]
SHANGHAI KEAN TECHNOLOGY CO., LTD.+8613817748580 · [email protected]
上海捷世凯生物科技有限公司021-57520305 13795461237 · [email protected]
Guangzhou CATO Research Chemicals Inc.+86-020-81960175-617 18520203721 · [email protected]
石家庄乐恩精细化工有限公司15203111882 · [email protected]
湖北诺纳科技有限公司027-59209883 17386138556 · [email protected]
湖北云镁科技有限公司59206672 18327059871 · [email protected]
Related reactions
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