Basic information
- CAS
2854-16-2- Standard SMILES
CC(C)(O)CN- InChIKey
LXQMHOKEXZETKB-UHFFFAOYSA-N- Molecular formula
- C4H11NO
- Average molar mass
- 89.14 g/mol
- Monoisotopic mass
- 89.08406397
Names & identifiers
- Preferred name
- 2-Propanol, 1-amino-2-methyl-
- IUPAC
- 1-amino-2-methylpropan-2-ol
- English name
- 1-Amino-2-methylpropan-2-ol
- Molecular formula
- C4H11NO
- Molecular weight
- 89.14
Names & synonyms
1-amino-2-methylpropan-2-ol1-Amino-2-methyl-2-propanol2-Propanol, 1-amino-2-methyl-2-Propanol, l-amino-2-methylNSC 17697BRN 05059694-04-00-01746 (Beilstein Handbook Reference)RefChem:478489803-530-82854-16-21-Amino-2-methyl-propan-2-ol3-Amino-2-methyl-2-propanol
Show more names
EOS-608081-amino-2-methyLTIANFU-CHEM 2854-16-2-Amino-2-methylpropan-2-ol2-Amino-a,a-dimethylethanol
MFCD016972831,1-Dimethylethanolamine2-Methyl-2-hydroxypropylamine2-Hydroxy-2-methyl-1-propylamineNSC176972-Hydroxyisobutylamineamino methyl isopropanolAB1006268
Database identifiers
- CAS
2854-16-2- PubChem CID
- 95102
- DTXSID
DTXSID10182760- EC Number
- 803-530-8
- Nikkaji
- J50.946I
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 42.8
Experimental & physicochemical properties
Density0.934 @25 °C
Boiling Point165 °C @760 [mm Hg]
Melting Point20 °C
Vapor Pressure1 [mm Hg] @20 °C
Physicochemical properties
- Melting point
- 8.72 °C · 8.72°C (estimate)
- Boiling point
- 151 °C · 151°C(lit.)
- Density
- 1.915 g/mL · 1.915 g/mL at 25 °C
- refractive index
- 20 · n20/D1.448
- Flash point
- 73 ℃ · 73℃
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform, Ethyl Acetate (Slightly)
- form
- Oil
- pka
- 12.99 · 12.99±0.50(Predicted)
- color
- Clear Colourless
- InChI
- InChI=1S/C4H11NO/c1-4(2,6)3-5/h6H,3,5H2,1-2H3
- InChIKey
- LXQMHOKEXZETKB-UHFFFAOYSA-N
- SMILES
- C(N)C(C)(O)C
- CAS DataBase Reference
- 2854 · 2854-16-2
- EWG's Food Scores
- 1 · 1
- NIST Chemistry Reference
- 1 · 1-Amino-2-methyl-2-propanol(2854-16-2)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H315-H318-H335
- Precautionary statements
- 280 · P280-P301+P312+P330-P304+P340+P312-P305+P351+P338+P310
- target organs
- Respiratory system
- Hazard Codes
- Xn
- Risk Statements
- 22 · 22-37/38-41
- Safety Statements
- 26 · 26-39
- RIDADR
- 1993 · 1993
- WGK Germany
- 3 · 3
- RTECS
- 6125000 · UA6125000
- HazardClass
- IRRITANT
- PackingGroup
- Ⅲ
- HS Code
- 2922190090 · 2922190090
- Storage Class
- 10 · 10 - Combustible liquids
- Hazard Classifications
- 4 OralEye · Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Limited Quantities
- 5 L · 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
Safety & regulation
GHS classification
GHS Classification
Danger
H302 (90.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (90.7%)
Safety & protection
Protective Action Criteria (PAC)
1.2 [ppm]
13 [ppm]
78 [ppm]
Safety data
- wgk
- 3
- rtecs
- UA6125000
- ridadr
- 1993
- hs_code
- 2922190090
- risk_code
- 22-37/38-41
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_code
- Xn
- safety_code
- 26-39
- hazard_class
- IRRITANT
- Storage Class
- 10 - Combustible liquids
- packing_group
- Ⅲ
- target organs
- Respiratory system
- Hazard statements
- H302-H315-H318-H335
- Limited Quantities
- 5.0 L (1.3 gallons) (liquid) or 5.0 kg (11 lbs) (solid)
- Excepted Quantities
- Max Inner Pack (30g or 30ml) and Max Outer Pack (1Kg or 1L)
- Hazard Classifications
- Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2STOT SE 3
- Precautionary statements
- P280-P301+P312+P330-P304+P340+P312-P305+P351+P338+P310
Chemistry & industry
Applications
Uses3-Amino-2-methyl-2-propanol, is a versatile intermediate used for the synthesis of more complex compounds, including inhibitors. It is an intermediate in the preparation of metabolites of Darunavir (D193500), such as (A581405).
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]
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]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
上海波以尔化工有限公司[email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [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]
成都添福瑞生物科技有限公司18030648795 18030648795 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
上海忆嵘生物科技有限公司18049974220 · [email protected]
山东西亚化学有限公司13355009207 13355009207 · [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]
同创医药(苏州)有限公司0512-63263366 18912765016 · [email protected]
北京泰亚杰科技有限公司021-33690831-8001 13552411790;18616022633 · [email protected]
上海先诺生物科技有限公司021-50718719 13918719472
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]
上海健超生物科技有限公司150-2103-5486 18017383231 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [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
上海昶衍化工科技有限公司021-20242659 18930833303 · [email protected]
上海宸香医药科技有限公司021-20960837 · [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]
上海石鑫医药科技有限公司021-18621020637 18621020637 · [email protected]
苏州月朗星稀化学有限公司0512-62857507 · [email protected]
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
上海嵩爰化工科技有限公司010-1234567 18521000990 · [email protected]
兰州华浩生物医药科技有限责任公司18189674620 · [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]
铜陵恒优生物科技有限公司021-50426030 13856289449;13124863828 · [email protected]
北京六合宁远医药科技股份有限公司010-60400365-8001 15910885229 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
江苏倍达医药科技有限公司0512-63009836 18994340901 · [email protected]
Related reactions
232 records
Compound notes
Loading…