Basic information
- CAS
612532-52-2- Standard SMILES
NC(CCO)c1ccc(F)cc1- InChIKey
CCJPLYPJQZYBLI-UHFFFAOYSA-N- Molecular formula
- C9H12FNO
- Average molar mass
- 169.2 g/mol
- Monoisotopic mass
- 169.09029222
Names & identifiers
- Preferred name
- 3-Amino-3-(4-fluorophenyl)propan-1-ol
- IUPAC
- 3-amino-3-(4-fluorophenyl)propan-1-ol
- English name
- 3-(4-Fluorophenyl)-DL-beta-alaninol
- Molecular formula
- C9H12FNO
- Molecular weight
- 169.2
Names & synonyms
3-amino-3-(4-fluorophenyl)propan-1-ol612532-52-2DTXSID80622542RefChem:276404DTXCID70573296674-812-43-Amino-3-(4-fluorophenyl)-1-propanol3-amino-3-(4-fluoro-phenyl)-propan-1-olMFCD034127183-(4-fluorophenyl)-dl-beta-alaninol(3R)-3-amino-3-(4-fluorophenyl)propan-1-oldl-beta-(4-fluorophenyl)alaninol
Show more names
3-(4-Fluorophenyl)-beta-alaninolBenzenepropanol, .gamma.-amino-4-fluoro-
SCHEMBL971562CHEMBL4562590DL- -(4-Fluorophenyl)alaninolCCJPLYPJQZYBLI-UHFFFAOYSA-NAKOS011675009AB14430AB88527CS-W003057
Database identifiers
- CAS
612532-52-2- PubChem CID
- 22115252
- DTXSID
DTXSID80622542- ChEMBL
CHEMBL4562590- EC Number
- 674-812-4
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 46.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 124
Physicochemical properties
- Boiling point
- 296.827 · 296.827±25.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.168 · 1.168±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- pka
- 14.889 · 14.889±0.10(predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H226
- Precautionary statements
- 501 · P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
- HS Code
- 2921490090 · 2921490090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (50%)
Safety data
- hs_code
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H315-H319-H226
- Precautionary statements
- P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235
Chemistry & industry
Suppliers39 total
上海策嵘生物科技有限公司[email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
石家庄州昆医药科技有限公司0311-83784138 18633934202 · [email protected]
上海思域化工科技有限公司86-21-34053660 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海仁曲医药科技有限公司18171398856 2968382473 · [email protected]
苏州爱玛特生物科技有限公司0512-56316828 4008675858 · [email protected]
阳谷荣科商贸有限公司15863541132 · [email protected]
Related reactions
3 records
Compound notes
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